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/* cn3dopen.c
* ===========================================================================
*
* PUBLIC DOMAIN NOTICE
* National Center for Biotechnology Information (NCBI)
*
* This software/database is a "United States Government Work" under the
* terms of the United States Copyright Act. It was written as part of
* the author's official duties as a United States Government employee and
* thus cannot be copyrighted. This software/database is freely available
* to the public for use. The National Library of Medicine and the U.S.
* Government do not place any restriction on its use or reproduction.
* We would, however, appreciate having the NCBI and the author cited in
* any work or product based on this material
*
* Although all reasonable efforts have been taken to ensure the accuracy
* and reliability of the software and data, the NLM and the U.S.
* Government do not and cannot warrant the performance or results that
* may be obtained by using this software or data. The NLM and the U.S.
* Government disclaim all warranties, express or implied, including
* warranties of performance, merchantability or fitness for any particular
* purpose.
*
* ===========================================================================
*
* File Name: cn3dopen.c
*
* Author: Christopher Hogue, Yanli Wang, Lewis Geer
*
* First Version Creation Date: 1/31/96
*
* $Revision: 6.112 $
*
* File Description: Cn3d file opening routines
*
*
* Modifications:
* --------------------------------------------------------------------------
* Date Name Description of modification
* ------- ---------- -----------------------------------------------------
* $Log: cn3dopen.c,v $
* Revision 6.112 2000/07/24 22:30:20 thiessen
* fix header conflict
*
* Revision 6.111 2000/07/21 18:55:14 thiessen
* allow dynamic slave->master transformation
*
* Revision 6.110 2000/06/16 14:57:03 lewisg
* move entrez calls out of desktop
*
* Revision 6.109 2000/05/16 20:24:23 thiessen
* don't display alignseq
*
* Revision 6.108 2000/05/16 18:13:32 lewisg
* fix cdd load bug
*
* Revision 6.107 2000/05/16 12:44:55 lewisg
* fix coloring bug for strucseqs
*
* Revision 6.106 2000/05/16 11:08:44 wheelan
* changed sap to salp in SAM_ReplaceGI call at line 505
*
* Revision 6.105 2000/05/15 23:39:34 lewisg
* shred cblast, add menu items for gapped/ungapped, fix pdbheaders
*
* Revision 6.104 2000/04/20 23:27:45 lewisg
* misc bug fixes
*
* Revision 6.103 2000/04/11 20:05:39 lewisg
* fix freeing bug on bioseq import, misc. tweaks
*
* Revision 6.102 2000/04/10 20:33:40 lewisg
* fix show/hide for blast multiple, make blast multiple API generic
*
* Revision 6.101 2000/04/08 00:37:30 lewisg
* multiple seqentries, NEWSEQ message, etc.
*
* Revision 6.100 2000/04/07 17:48:39 thiessen
* make 'identity' color default for strucseqs
*
* Revision 6.99 2000/04/04 22:18:42 lewisg
* add defline to ddv, fix seq import bugs, set boundbox
*
* Revision 6.98 2000/04/04 17:51:54 lewisg
* fix various seq import bugs
*
* Revision 6.97 2000/04/03 21:05:53 lewisg
* fix launch of cn3d from sequin
*
* Revision 6.96 2000/04/03 14:56:22 lewisg
* fix sequence import hang
*
* Revision 6.95 2000/03/28 21:18:54 lewisg
* more bug fixes for strucseqs
*
* Revision 6.94 2000/03/28 19:28:13 lewisg
* prep new imported sa
*
* Revision 6.93 2000/03/28 16:23:04 thiessen
* store row number in MMD after BLAST import
*
* Revision 6.92 2000/03/27 22:15:04 lewisg
* add show/hide row dialog
*
* Revision 6.91 2000/03/27 17:15:42 thiessen
* fix layer display bug
*
* Revision 6.90 2000/03/24 20:34:56 lewisg
* add blast from file, bug fixes, get rid of redundant code, etc.
*
* Revision 6.89 2000/03/23 21:01:07 thiessen
* add row number (1) to structure of strucseqs mime type
*
* Revision 6.88 2000/03/22 23:17:49 thiessen
* added ability to save ARS in ASN1
*
* Revision 6.87 2000/03/20 18:18:33 thiessen
* fixed header problem causing network unavailability
*
* Revision 6.86 2000/03/18 22:39:50 lewisg
* copy blast3 headers in makeall.unx, add blast3 to entrez link
*
* Revision 6.84 2000/03/18 00:06:00 lewisg
* add blast, new help, new menus
*
* Revision 6.83 2000/03/15 04:43:55 thiessen
* various minor fixes
*
* Revision 6.82 2000/03/14 18:03:13 thiessen
* add target row to MMD; remove rowmgr
*
* Revision 6.81 2000/03/13 22:03:21 lewisg
* add globalpars to network biostruc open
*
* Revision 6.80 2000/03/09 20:32:26 lewisg
* fix saving strucseq
*
* Revision 6.79 2000/03/09 17:56:58 thiessen
* changes to palette handling, feature implementation, PARS storage
*
* Revision 6.78 2000/03/08 21:46:14 lewisg
* cn3d saves viewport, misc bugs
*
* Revision 6.77 2000/03/02 21:11:06 lewisg
* use bandalign for import sequence, make standalone ddv use viewmgr, make dialogs modal, send color update
*
* Revision 6.76 2000/03/01 22:49:41 lewisg
* import bioseq, neatlyindex, get rid of dead code
*
* Revision 6.75 2000/03/01 16:17:55 thiessen
* improved handling of colors; many small fixes
*
* Revision 6.74 2000/02/19 21:25:57 thiessen
* split of cn3dmodl into cn3dmodl and cn3dstyl
*
* Revision 6.73 2000/02/15 22:40:57 lewisg
* add ability to launch udv so that it colors by row, fixes to colormgr, track rows from viewmgr, fix visual c projects
*
* Revision 6.72 2000/02/10 17:47:02 thiessen
* added: color-by-sequence-conservation menu item, zoom-out to OpenGL, misc fixes
*
* Revision 6.71 2000/02/05 01:32:21 lewisg
* add viewmgr, move place freeing is done in ddv, modify visual c++ projects
*
* Revision 6.70 2000/01/21 15:59:05 lewisg
* add check for binary/ascii files
*
* Revision 6.69 2000/01/14 21:40:41 lewisg
* add translucent spheres, ion labels, new cpk, fix misc bugs
*
* Revision 6.68 2000/01/04 15:55:51 lewisg
* don't hang on disconnected network and fix memory leak/hang at exit
*
* Revision 6.67 1999/12/28 23:06:35 lewisg
* udv/cn3d communication
*
* Revision 6.66 1999/12/28 15:55:21 lewisg
* remove remaining mediainfo code
*
* Revision 6.65 1999/12/15 23:17:47 lewisg
* make cn3d launch udv, fix launching of non-autonomous udv, add mouseup message
*
* Revision 6.64 1999/12/13 23:20:44 lewisg
* bug fixes: duplicate color structures eliminated, clear color doesn't clear case
*
* Revision 6.63 1999/12/11 01:30:35 lewisg
* fix bugs with sharing colors between ddv and cn3d
*
* Revision 6.62 1999/12/01 16:15:54 lewisg
* interim checkin to fix blocking memory leak
*
* Revision 6.61 1999/11/24 15:23:19 lewisg
* added color selection dialogs for SS
*
* Revision 6.60 1999/11/15 18:30:08 lewisg
* get rid of extra redraws when selecting
*
* Revision 6.59 1999/11/10 23:19:41 lewisg
* rewrite of selection code for ddv
*
* Revision 6.58 1999/11/02 23:06:07 lewisg
* fix cn3d to launch correctly if there is no seqentry associated with bioseq
*
* Revision 6.57 1999/10/29 14:15:30 thiessen
* ran all Cn3D source through GNU Indent to prettify
*
* Revision 6.56 1999/10/18 16:01:09 lewisg
* fix bssp to bsssp
*
* Revision 6.55 1999/10/18 15:32:50 lewisg
* move ClearSequences() to cn3dshim.c
*
* Revision 6.54 1999/10/15 20:56:39 lewisg
* append DDV_ColorGlobal as userdata. free memory when cn3d terminates.
*
* Revision 6.53 1999/10/05 23:18:24 lewisg
* add ddv and udv to cn3d with memory management
*
* Revision 6.52 1999/09/16 17:16:21 ywang
* open multiple salsa window for data with multiple seq-annot data
*
* Revision 6.51 1999/08/04 21:18:01 lewisg
* modularized open operations to allow sequin to launch cn3d
*
* Revision 6.50 1999/07/12 19:37:44 ywang
* fix bug
*
* Revision 6.49 1999/07/07 20:45:37 ywang
* clear domaindata, mediadata, special feature before reading in new data in cn3d
*
* Revision 6.48 1999/07/07 16:41:30 ywang
* reset Num_Bioseq as 0 when sequences are freed
*
* Revision 6.47 1999/07/06 18:30:45 chappey
* Send FLUSH message on each Bioseq to close windows
*
* Revision 6.46 1999/07/06 17:18:38 ywang
* send OM_MSG_FLUSH message to salsa to close all its windows before new sequence window launched
*
* Revision 6.45 1999/07/02 20:58:37 ywang
* return NULL sep upon NULL pmsdThis in Cn3DFetchSeqEntry
*
* Revision 6.44 1999/07/02 19:57:43 ywang
* go through every node of SeqEntryPtr for free
*
* Revision 6.43 1999/07/02 14:39:14 ywang
* clean seq-entry fetching and OM register for netopen and local read(non mimetype) functioning
*
* Revision 6.42 1999/07/01 22:14:58 ywang
* back to previous version to use EntrezSeqEntryGet to get sequences for additional loading, before this free existant sequences
*
* Revision 6.41 1999/07/01 22:08:08 lewisg
* add resize before all redraws
*
* Revision 6.40 1999/07/01 21:44:30 ywang
* work around EntrezSeqEntryGet core dump on redunant sequence loading and free existant sequences before additional loading
*
* Revision 6.39 1999/07/01 14:07:25 ywang
* cn3dwin.c
*
* Revision 6.38 1999/06/15 19:08:17 kans
* instantiate Cn3D_useEntrez in library
*
* Revision 6.37 1999/06/15 17:57:54 ywang
* rename useEntrez as Cn3D_useEntrez
*
* Revision 6.36 1999/06/14 17:40:26 ywang
* assign mimetype to structure data read in locally or via network with respect to availability of sequences
*
* Revision 6.35 1999/04/06 20:14:09 lewisg
* more opengl
*
* Revision 6.34 1999/03/30 22:36:19 ywang
* add functions to color salsa for NcbiMimeAsn1_strucseqs & code reorganization
*
* Revision 6.33 1999/03/18 22:28:58 ywang
* add functions for saveout+readin+index user defined features
*
* Revision 6.32 1999/03/03 23:17:22 lewisg
* one master struct at a time, list slaves in structure info, bug fixes
*
* Revision 6.31 1999/02/25 23:14:31 ywang
* move around menu item and callback function, change menu item names
*
* Revision 6.30 1999/02/24 23:00:49 ywang
* record mime type at MSD node
*
* Revision 6.29 1999/01/20 18:21:20 ywang
* include salmedia.h due to the move around of MediaInfo from cn3dmsg.h to the new created salmedia.h
*
* Revision 6.28 1999/01/19 23:42:48 ywang
* fix bugs over improving color msg
*
* Revision 6.27 1999/01/14 19:07:17 kans
* network availability is configurable
*
* Revision 6.26 1998/12/22 15:40:32 ywang
* restore sequences pointer for strucseq
*
* Revision 6.25 1998/12/21 18:47:37 addess
* fixed strucseq bug found by Aron
*
* Revision 6.24 1998/12/16 17:02:57 ywang
* pick up strucseqs mime type
*
* Revision 6.23 1998/10/21 15:49:21 ywang
* attach the whole vast alignment data to master structure
*
* Revision 6.22 1998/09/23 18:38:50 ywang
* add functions to control display on domain level
*
* Revision 6.21 1998/06/30 23:29:22 ywang
* fix bugs regarding to read in more structures
*
* Revision 6.20 1998/06/30 14:48:04 ywang
* launch salsa automatically and accordingly when more structures are readin
*
* Revision 6.19 1998/06/29 19:28:00 lewisg
* on the fly update of conservation color
*
* Revision 6.17 1998/06/15 14:26:06 ywang
* automatic launch salsa when mime data got in either through command line or via local reading in
*
* Revision 6.16 1998/06/12 21:21:56 ywang
* change sCompare to make cn3d accept mime strucseq from local readin
*
* Revision 6.15 1998/06/04 16:48:36 ywang
* fix bug triggered by automatic salsa launch
*
* Revision 6.14 1998/05/27 22:15:16 ywang
* add Cn3dObjRegister() to several places
*
* Revision 6.13 1998/05/18 22:09:14 ywang
* move codes around
*
* Revision 6.12 1998/05/12 21:47:05 lewisg
* stricter conservation coloring
*
* Revision 6.11 1998/05/12 16:34:01 ywang
* take strucseq mime data
*
* Revision 6.10 1998/05/06 23:50:24 lewisg
* fixed launching problem with sequin
*
* Revision 6.9 1998/05/06 14:20:09 lewisg
* get rid of NULL structure bugs
*
* Revision 6.8 1998/04/28 22:47:21 lewisg
* master/slave color in sync
*
* Revision 6.7 1998/04/28 19:40:01 lewisg
* codewarrior fixes
*
* Revision 6.6 1998/04/28 19:38:39 lewisg
* codewarrior fixes
*
* Revision 6.5 1998/04/28 18:53:25 ywang
* take NcbiMimeAsn1_alignseq to view alignment only
*
* Revision 6.4 1998/04/28 15:20:37 kans
* cast needed on FileGets for CodeWarrior
*
* Revision 6.3 1998/04/28 15:14:29 lewisg
* moved OpenMimeFileWithDeletion to cn3dopen
*
* Revision 6.2 1998/04/27 23:23:06 lewisg
* added ability to open mime files
*
* Revision 6.1 1998/04/16 00:32:25 lewisg
* corrected neighbor mode bugs
*
* Revision 6.0 1997/08/25 18:13:38 madden
* Revision changed to 6.0
*
* Revision 5.0 1996/05/28 14:05:44 ostell
* Set to revision 5.0
*
* Revision 1.5 1996/04/18 17:01:10 hogue
* Fixed calls to FetchBS for later integration into Entrez, added feature to turn off redundant backbone model for faster spinning...
*
* Revision 1.4 1996/03/30 23:41:01 hogue
* Redraw now saves camera
*
* Revision 1.3 1996/03/29 20:01:24 hogue
* Added call to reset active structure upon opening.
*
* Revision 1.2 1996/02/02 19:40:19 hogue
* Initial Revision
*
*
* ==========================================================================
*/
#include <vibrant.h>
#include <math.h>
#include <mmdbapi.h>
#include <accentr.h>
#include <objalign.h>
#include <objseq.h>
#include <objmgr.h>
#include <sequtil.h>
#include <saledit.h>
#include <lsqfetch.h>
#include <cn3dopen.h>
#include <cn3dmain.h>
#include <algorend.h>
#include <cn3dmsg.h>
#include <salmedia.h>
#include <cn3dshim.h>
#include <cn3dmodl.h>
#include <cn3dstyl.h>
#include <alignmgr.h>
#include <sqnutils.h>
#include <cn3dsave.h>
#include <ddvopen.h>
#include <seqcons.h>
#include <udviewer.h>
#include <tofasta.h>
#include <accutils.h>
static Boolean Cn3D_Open_InUse = FALSE;
static WindoW Cn3D_wNetOpen;
static TexT Cn3D_tOpen;
static GrouP Cn3D_gAccType;
static ButtoN Cn3D_bOpenAccept;
static GrouP Cn3D_gMdlLvl;
static GrouP Cn3D_gMdlNo;
static WindoW Cn3D_wOpen;
static ButtoN Cn3D_bOpenBrowse;
Boolean Mime_ReadIn = FALSE;
Int2 Cn3DMime = 0;
/*****************************************************************************
Function: Cn3D_UseNetwork()
Purpose: Sets Cn3D_ColorData.UseEntrez, if Cn3D should use the network
Returns: TRUE if yes
*****************************************************************************/
NLM_EXTERN Boolean Cn3D_CheckNetworkUse()
{
Char str[64];
Boolean useNetwork = FALSE;
if (GetAppParam
("CN3D", "SETTINGS", "NETWORKAVAILABLE", NULL, str, sizeof(str))) {
if (StringICmp(str, "TRUE") == 0) useNetwork = TRUE;
}
Cn3D_ColorData.UseEntrez = useNetwork;
Cn3D_ColorData.EntrezOn = FALSE;
return useNetwork;
}
/*------------------------------------------------------*/
Boolean Cn3D_UsingEntrez(void)
{
return Cn3D_ColorData.UseEntrez;
}
/*------------------------------------------------------*/
Boolean Cn3D_EntrezOn(void)
{
return Cn3D_ColorData.EntrezOn;
}
/*------------------------------------------------------*/
SeqEntryPtr Cn3DFetchSeqEntry(PMSD pmsdThis)
{
PDNMM pdnmmHead = NULL;
PMMD pmmdThis = NULL;
SeqId si;
Bioseq *bsp;
if (pmsdThis == NULL)
return NULL;
pdnmmHead = pmsdThis->pdnmmHead;
while (pdnmmHead) {
pmmdThis = pdnmmHead->data.ptrvalue;
if (pmmdThis == NULL)
goto errot;
if (pmmdThis->bWhat != (Byte) AM_PROT
&& pmmdThis->bWhat != (Byte) AM_RNA
&& pmmdThis->bWhat != (Byte) AM_DNA)
goto errot;
if (pmmdThis->iGi != 0) {
si.choice = SEQID_GI;
si.data.intvalue = pmmdThis->iGi;
bsp = BioseqLockById(&si);
BioseqUnlock(bsp);
if (bsp != NULL)
return SeqEntryFind(&si);
}
errot:
pdnmmHead = pdnmmHead->next;
}
return NULL;
}
static SeqAnnot * Cn3D_ShredCBlast(SeqAnnot *sap)
{
SeqAlign *salp;
SeqAnnot *sapout, *saptmp;
if (sap == NULL) return NULL;
saptmp = sap;
while (saptmp) {
if (saptmp->type == 2) {
salp = saptmp->data;
break;
}
saptmp = saptmp->next;
}
if (salp) {
if(am_guess_numrows(salp) > 2) return sap;
SAM_ReplaceGI(salp);
AlnMgrIndexSeqAlign(salp);
AlnMgrMakeMultipleByScore(salp);
AlnMgrDeleteHidden(salp, FALSE);
sapout = SeqAnnotNew();
sapout->data = DDV_ShredAln(salp);
if(sapout->data == NULL) return sap;
sapout->type = 2;
return sapout;
} else return NULL;
}
/*
sets alignment bits in master structure given pairwise seqaligns
*/
static void Cn3D_MarkStrucSeqs(PDNMS pdnmsThis, SeqAnnot *sap)
{
PMSD pmsdThis = NULL;
PMMD pmmdThis = NULL;
PMGD pmgdThis = NULL;
SeqIdPtr sip = NULL;
SeqAlignPtr salp = NULL;
DenseSegPtr dssp = NULL;
DenseDiagPtr ddp = NULL;
Int4 nres, numseg;
if (sap == NULL || pdnmsThis == NULL) return;
pmsdThis = pdnmsThis->data.ptrvalue;
if (pmsdThis == NULL) return;
while (sap) {
if (sap->type == 2) {
salp = sap->data;
break;
}
sap = sap->next;
}
if (salp) {
if(salp->segtype == SAS_DENDIAG) {
ddp = salp->segs;
sip = ddp->id;
}
else if(salp->segtype == SAS_DENSEG) {
dssp = salp->segs;
sip = dssp->ids;
}
else return;
pmmdThis = GetMMFromMSDBySeqId(pmsdThis, sip);
/* assume the first sip is for the sequence with known structure */
} else return;
if (pmmdThis == NULL) return;
while (salp) {
pmsdThis->bAligned++;
if(salp->segtype == SAS_DENSEG) {
dssp = salp->segs;
if(dssp->dim != 2) continue;
for (numseg = 0; numseg < dssp->numseg; numseg++) {
if (dssp->starts[numseg*2] == -1
|| dssp->starts[numseg*2+1] == -1 ) continue;
for (nres = dssp->starts[numseg*2];
nres < dssp->starts[numseg*2] + dssp->lens[numseg];
nres++) {
pmgdThis = GetMGFromMM(pmmdThis, nres + 1);
if (pmgdThis) pmgdThis->bReserved++;
}
}
}
else /* densediag */ {
ddp = salp->segs;
if(ddp->dim != 2) continue;
if (ddp->starts[0] != -1 && ddp->starts[1] != -1) {
for (nres = ddp->starts[0]; nres < ddp->starts[0] + ddp->len;
nres++) {
pmgdThis = GetMGFromMM(pmmdThis, nres + 1);
if (pmgdThis) pmgdThis->bReserved++;
}
}
}
salp = salp->next;
}
}
/**********
fnMarkAlignedResidue()
Given a master and model, mark all of the residues in the slave and master that are aligned.
**********/
ValNodePtr fnMarkAlignedResidues(PDNMS pdnmsMaster, PDNMS pdnmsSlave,
BiostrucFeaturePtr pbsfThis)
{
ValNodePtr pvnAlignment;
ValNodePtr pvnThis = NULL;
ChemGraphPntrsPtr pcgpThis;
ValNodePtr pvnListMaster = NULL, pvnListSlave = NULL,
pvnListMasterHead, pvnListSlaveHead;
PFB pfbMaster = NULL, pfbSlave = NULL;
ChemGraphAlignmentPtr pcgaSlave;
/* find the corresponding alignment */
pvnAlignment =
ValNodeFindNext(pbsfThis->Location_location, NULL,
Location_location_alignment);
if (pvnAlignment == NULL)
return NULL;
pcgaSlave = pvnAlignment->data.ptrvalue;
pvnThis = pcgaSlave->alignment;
if (pvnThis) {
pcgpThis = (ChemGraphPntrsPtr) pvnThis;
pvnListMasterHead = pvnListMaster =
MakeChemGraphNodeList(pdnmsMaster, pcgpThis);
pcgpThis = (ChemGraphPntrsPtr) pvnThis->next;
pvnListSlaveHead = pvnListSlave =
MakeChemGraphNodeList(pdnmsSlave, pcgpThis);
if (!pvnListMaster || !pvnListSlave)
return NULL;
while (pvnListMaster && pvnListSlave) {
pfbMaster = (PFB) pvnListMaster->data.ptrvalue;
pfbMaster->bReserved++;
pfbSlave = (PFB) pvnListSlave->data.ptrvalue;
pfbSlave->bReserved++;
((PMGD) pfbSlave)->pbMasterReserved = &(pfbMaster->bReserved); /* use unused feature pointer to point slave back at master */
pvnListSlave = pvnListSlave->next;
pvnListMaster = pvnListMaster->next;
} /* while pvnListMaster */
ValNodeFree(pvnListMasterHead);
ValNodeFree(pvnListSlaveHead);
} /* while pvnThis */
return pvnAlignment;
}
/************
fnClearMarkedResidues
callback function used to clear all of the alignment pointers and counters used for protein conservation calculations
************/
void LIBCALLBACK fnClearMarkedResidues(PFB pfbThis, Int4 iModel,
Int4 iIndex, Pointer ptr)
{
PMGD pmgdThis;
pfbThis->bReserved = 0;
pmgdThis = (PMGD) pfbThis;
pmgdThis->pbMasterReserved = NULL;
}
/******************************************************************************
*
* Traverses the given MSD and sets it up for displaying one model or animation
* Turns off backbone model if all atoms is loaded in?
*
******************************************************************************/
NLM_EXTERN void MMDB_OpenTraverse(PMSD pmsd)
{
PDNML pdnmlThis = NULL;
PMLD pmldThis = NULL;
PMLD pmldOne = NULL;
PMLD pmldAll = NULL;
pdnmlThis = pmsd->pdnmlModels;
/* set up for doing one model or animation */
while (pdnmlThis) {
pmldThis = (PMLD) pdnmlThis->data.ptrvalue;
if (pmldThis->iType == Model_type_ncbi_backbone)
pmldOne = pmldThis;
if (pmldThis->iType == Model_type_ncbi_all_atom)
pmldAll = pmldThis;
pdnmlThis = pdnmlThis->next;
}
if (pmldOne && pmldAll)
pmldOne->bSelected &= (Byte) 0xFE;
}
/******************************************************************************
*
* Sets up Cn3D for reading in a new structure and any potential alignments
* and bioseqs.
*
******************************************************************************/
NLM_EXTERN void Cn3D_OpenStart()
{
Int4 iBioseq = 0;
#ifndef _OPENGL
Cn3D_SaveActiveCam();
#endif
ObjMgrDeSelectAll();
Mime_ReadIn = FALSE;
ClearSequences();
ClearStructures();
ClearRest();
}
NLM_EXTERN Boolean Cn3D_StartNet(Boolean UseNetwork)
{
if (Cn3D_ColorData.EntrezOn) return TRUE;
if (Cn3D_ColorData.UseEntrez) {
if(EntrezInit("Cn3D", TRUE, NULL)) {
if(EntrezBioseqFetchEnable("Cn3D", FALSE)) {
Cn3D_ColorData.EntrezOn = TRUE;
return TRUE;
}
}
}
return FALSE;
}
/******************************************************************************
*
* Finishes setting up Cn3D. Called after reading in a new structure and any
* alignments and bioseqs. If necessary, will load in a sequence via
* netentrez if a network connection is open.
*
******************************************************************************/
/* call back to replace gi's with full seqid's */
static void LIBCALLBACK fnRewireSips(PFB pfbThis, Int4 iModel,
Int4 iIndex, Pointer ptr)
{
PMMD pmmdThis;
Bioseq *bsp;
SeqId *sip;
pmmdThis = (PMMD) pfbThis;
if(pmmdThis->pSeqId == NULL) return;
bsp = BioseqLockById(pmmdThis->pSeqId);
if(bsp == NULL) return;
sip = SeqIdDupList(bsp->id);
BioseqUnlock(bsp);
if(sip == NULL) {
return;
}
SeqIdFree(pmmdThis->pSeqId);
pmmdThis->pSeqId = sip;
return;
}
NLM_EXTERN void Cn3D_OpenEnd()
{
PMSD pmsdMaster = NULL;
PDNMS pdnmsMaster = NULL, pdnmsSlave = NULL;
SeqEntryPtr sep = NULL;
#ifdef _OPENGL
BiostrucFeaturePtr bsfp;
Camera *camera;
#endif
Cn3DIndexUserDefinedFeature();
#ifdef _OPENGL
OGL_Reset(Cn3D_ColorData.OGL_Data);
#else
ZoomAll3D(Cn3D_v3d);
#endif
pdnmsMaster = GetSelectedModelstruc();
if(pdnmsMaster == NULL) return;
pmsdMaster = pdnmsMaster->data.ptrvalue;
if(pmsdMaster == NULL) return;
Cn3D_GetRenderSettingsFromBiostruc(pdnmsMaster);
if (!Mime_ReadIn || pmsdMaster->iMimeType == NcbiMimeAsn1_entrez) {
Cn3D_StartNet(TRUE);
if (Cn3D_ColorData.EntrezOn) {
sep = Cn3DFetchSeqEntry(pmsdMaster);
if (sep != NULL) {
pmsdMaster->iMimeType = NcbiMimeAsn1_strucseq;
Cn3D_RegisterSeqEntry(sep);
}
else pmsdMaster->iMimeType = NcbiMimeAsn1_entrez;
}
else pmsdMaster->iMimeType = NcbiMimeAsn1_entrez;
}
Cn3D_ColorData.IsUserData = TRUE;
if(Cn3D_ColorData.pDDVColorGlobal == NULL) {
Cn3D_ColorData.pDDVColorGlobal = DDV_CreateColorGlobal(FALSE,
NULL);
DDV_LoadSSColor(Cn3D_ColorData.pDDVColorGlobal, "CN3D");
Cn3D_ColorData.IsUserData = FALSE;
Cn3D_RegisterColor();
}
if (pmsdMaster->iMimeType != NcbiMimeAsn1_entrez) {
TraverseMolecules(pdnmsMaster, 0, 0, NULL,
(pNodeFunc) fnRewireSips);
for(pdnmsSlave = pmsdMaster->pdnmsSlaves; pdnmsSlave != NULL;
pdnmsSlave = pdnmsSlave->next)
TraverseMolecules(pdnmsSlave, 0, 0, NULL,
(pNodeFunc) fnRewireSips);
}
Cn3D_ResetActiveStrucProc();
Cn3D_RedrawEx(TRUE); /* always a new structure */
#ifdef _OPENGL
bsfp = Cn3D_FindFeature(pmsdMaster->pbsBS->features,
Feature_type_camera, 1);
if(bsfp != NULL) {
camera = (Camera *)bsfp->Property_property->data.ptrvalue;
if(camera->scale != 0) {
Cn3D_Asn2Matrix(Cn3D_ColorData.OGL_Data->ModelMatrix, camera->modelview);
Cn3D_ColorData.OGL_Data->CameraDistance = ((FloatLo)camera->distance)
/camera->scale;
Cn3D_ColorData.OGL_Data->CameraAngle = ((FloatLo)camera->angle)
/camera->scale;
Cn3D_ColorData.OGL_Data->CameraDirection[0] = ((FloatLo)camera->x)
/camera->scale;
Cn3D_ColorData.OGL_Data->CameraDirection[1] = ((FloatLo)camera->y)
/camera->scale;
Cn3D_ColorData.OGL_Data->NeedCameraSetup = TRUE;
}
}
OGL_AllLayerOnProc(Cn3D_ColorData.OGL_Data);
#endif
Cn3D_RedrawNUpdate(FALSE);
if (pmsdMaster->iMimeType != NcbiMimeAsn1_entrez) LaunchSequenceWindow();
}
static void Cn3D_StoreAlignRowNumsInMMDs(SeqAnnot * sanp)
{
PDNMS pdnmsMaster, pdnmsSlave;
PMMD pmmdThis;
Int4 row = 1;
SeqAlignPtr salp = NULL;
SeqIdPtr sip;
for (; sanp != NULL; sanp = sanp->next) {
if (sanp->data == NULL) continue;
salp = sanp->data;
break;
}
if (!salp) return;
pdnmsMaster = GetSelectedModelstruc();
if (pdnmsMaster == NULL) return;
/* assume master is row #1 */
sip = AlnMgrGetNthSeqIdPtr(salp, row);
pmmdThis = GetMMFromMSDBySeqId((PMSD) pdnmsMaster->data.ptrvalue, sip);
if (!pmmdThis) {
Message(MSG_ERROR, "error matching master MMD to target row 0");
return;
}
pmmdThis->iTargetRow = row;
row++;
/* assume slaves are rows 2..N in order */
for(pdnmsSlave = ((PMSD) pdnmsMaster->data.ptrvalue)->pdnmsSlaves;
pdnmsSlave;
pdnmsSlave = pdnmsSlave->next, row++) {
sip = AlnMgrGetNthSeqIdPtr(salp, row);
pmmdThis = GetMMFromMSDBySeqId((PMSD) pdnmsSlave->data.ptrvalue, sip);
if (!pmmdThis) {
Message(MSG_ERROR, "error matching slave MMD to target row %i", row);
return;
}
pmmdThis->iTargetRow = row;
}
}
/******************************************************************************
*
* Opens the file with filename and tries to read in NcbiMimeAsn1. Doesn't
* care if it binary or text encoded. If removeIt is set, deletes the file
* afterwards. The NcbiMimeAsn1 is read into the object manager and MMDBapi
*
******************************************************************************/
Boolean OpenMimeFileWithDeletion(CharPtr filename, Boolean removeIt)
{
Boolean retval = FALSE;
AsnIoPtr aip;
Char buf[50];
NcbiMimeAsn1Ptr mime;
FILE *fp = FileOpen(filename, "r");
WatchCursor();
if (!fp)
return FALSE;
FileRead(buf, 1, StrLen(PRINT_FORM_MIME_NAME), fp);
FileClose(fp);
if (StrNCmp(buf, PRINT_FORM_MIME_NAME, StrLen(PRINT_FORM_MIME_NAME)) ==
0) aip = AsnIoOpen(filename, "r");
else
aip = AsnIoOpen(filename, "rb");
if (!aip)
return FALSE;
mime = NcbiMimeAsn1AsnRead(aip, NULL);
AsnIoClose(aip);
if (!mime)
return FALSE;
Cn3DMime = mime->choice;
Cn3D_OpenStart();
Mime_ReadIn = TRUE;
retval = MMDB_ReadMime(mime);
Cn3D_OpenEnd();
if (removeIt) {
FileRemove(filename);
}
ArrowCursor();
return retval;
}
/*
* callback to initialize MG's PARS list with default PARS (passed as ptr)
*/
void LIBCALLBACK fnSetGlobalPARSinMG(PFB pfbThis, Int4 iModel,
Int4 iIndex, Pointer ptr)
{
ValNodeAddPointer(&(((PMGD) pfbThis)->pvnPARSList), 0, (VoidPtr) ptr);
}
NLM_EXTERN void Cn3D_SetPars(PARS parsThis, PDNMS pdnms)
{
PMSD pmsdThis;
if(parsThis == NULL || pdnms == NULL) return;
pmsdThis = pdnms->data.ptrvalue;
pmsdThis->pGlobalPARS = parsThis;
TraverseGraphs(pdnms, 0, 0, (Pointer) parsThis, (pNodeFunc) fnSetGlobalPARSinMG);
}
/******************************************************************************
*
* Meant to be an ncbiobj and mmdb dependent function to process mime input
* into objects and MSD's. Still has a few dependencies to be eliminated
*
******************************************************************************/
Boolean MMDB_ReadMime(NcbiMimeAsn1Ptr mime)
{
Boolean retval = FALSE;
BiostrucFeaturePtr pbsfThis;
PMSD pmsdSlave = NULL, pmsdMaster = NULL;
PDNMS pdnmsMaster = NULL, pdnmsSlave = NULL;
BiostrucAlignSeqPtr pbsasThis = NULL;
SeqAnnotPtr sap = NULL;
do { { /* TRY */
EntrezGeneralPtr egp;
BiostrucAlignPtr pbsaThis;
BiostrucSeqPtr bssp;
BiostrucSeqsPtr bsssp;
PDNMS pdnms = NULL;
PMSD pmsdThis = NULL;
PDNML pdnmlThis = NULL;
ValNodePtr pvnAlignment;
PDNTRN pdnTransform = NULL;
PARS parsThis;
BiostrucPtr pbsThis;
switch (mime->choice) {
case NcbiMimeAsn1_entrez:
egp = (EntrezGeneralPtr) mime->data.ptrvalue;
if (!egp || !egp->Data_data)
break; /* THROW */
retval = TRUE;
switch (egp->Data_data->choice) {
case Data_data_structure:
pdnms =
MakeAModelstruc((BiostrucPtr) egp->Data_data->data.ptrvalue);
if (!pdnms) break;
pmsdThis = (PMSD) pdnms->data.ptrvalue;
pmsdThis->iMimeType = NcbiMimeAsn1_entrez;
MMDB_OpenTraverse(pmsdThis);
Cn3D_SetPars(NewStructureRenderSet(), pdnms);
break;
case Data_data_nuc:
case Data_data_prot:
case Data_data_ml:
case Data_data_genome:
default:
break;
}
break;
case NcbiMimeAsn1_strucseq:
bssp = (BiostrucSeqPtr) mime->data.ptrvalue;
pdnms = MakeAModelstruc((BiostrucPtr) bssp->structure);
if (!pdnms) break;
pmsdThis = (PMSD) pdnms->data.ptrvalue;
Cn3D_SetPars(NewStructureRenderSet(), pdnms);
pmsdThis->iMimeType = NcbiMimeAsn1_strucseq;
MMDB_OpenTraverse(pmsdThis);
Cn3D_RegisterSeqEntry(bssp->sequences);
break;
case NcbiMimeAsn1_strucseqs:
bsssp = (BiostrucSeqsPtr) mime->data.ptrvalue;
pdnms = MakeAModelstruc((BiostrucPtr) bsssp->structure);
if (!pdnms) break;
pmsdThis = (PMSD) pdnms->data.ptrvalue;
pmsdThis->iMimeType = NcbiMimeAsn1_strucseqs;
MMDB_OpenTraverse(pmsdThis);
Cn3D_MarkStrucSeqs(pdnms, bsssp->seqalign);
sap = Cn3D_ShredCBlast(bsssp->seqalign);
Cn3D_RegisterSeqAnnot(sap, TRUE, TRUE);
Cn3D_RegisterSeqEntry(bsssp->sequences);
parsThis = NewStructureRenderSet();
parsThis->PBBColor = C_BYSEQCONS;
parsThis->ConsColAlg = CSC_SHOWIDENTITY;
Cn3D_SetPars(parsThis, pdnms);
/* after indexing/IBM, store "original" row numbers in corresponding MMD */
Cn3D_StoreAlignRowNumsInMMDs(sap);
break;
case NcbiMimeAsn1_alignseq:
/*
pbsasThis = (BiostrucAlignSeqPtr) mime->data.ptrvalue;
sap = Cn3D_ShredCBlast(pbsasThis->seqalign);
Cn3D_RegisterSeqAnnot(sap, TRUE, TRUE);
Cn3D_RegisterSeqEntry(pbsasThis->sequences);
*/
Message(MSG_ERROR, "Cn3D: Sorry, can't view alignments without structures (yet).");
exit(-1);
return retval;
case NcbiMimeAsn1_alignstruc: /* this is the code that received alignments */
pbsaThis = (BiostrucAlignPtr) mime->data.ptrvalue;
if (!pbsaThis) break; /* THROW */
retval = TRUE;
/* load in the master */
pdnmsMaster = MakeAModelstruc((BiostrucPtr) pbsaThis->master); /* grab the master struc */
if (!pdnmsMaster) break;
pmsdMaster = (PMSD) pdnmsMaster->data.ptrvalue;
pmsdMaster->iMimeType = NcbiMimeAsn1_alignstruc;
parsThis = NewAlignRenderSet();
Cn3D_SetPars(parsThis, pdnmsMaster);
pmsdMaster->bVisible = TRUE;
MMDB_OpenTraverse(pmsdMaster);
/* add the alignment seq annot ptr, etc. */
pmsdMaster->psaStrucAlignment = pbsaThis->alignments;
Cn3D_RegisterSeqAnnot(pbsaThis->seqalign, TRUE, TRUE);
Cn3D_RegisterSeqEntry(pbsaThis->sequences);
SetNeighborOn(); /* turn on neighbor mode */
SetMasterModelstruc(pdnmsMaster);
/* do a slave */
pbsThis = (BiostrucPtr) pbsaThis->slaves;
pbsfThis = (BiostrucFeaturePtr)
pbsaThis->alignments->features->features;
pvnAlignment = NULL;
TraverseGraphs(pdnmsMaster, 0, 0, NULL,
(pNodeFunc) fnClearMarkedResidues);
while (pbsThis) {
pdnmsSlave = MakeAModelstruc(pbsThis);
if (!pdnmsSlave)
break;
TraverseGraphs(pdnmsSlave, 0, 0, NULL,
(pNodeFunc) fnClearMarkedResidues);
pmsdSlave = (PMSD) pdnmsSlave->data.ptrvalue;
pmsdSlave->bMaster = FALSE; /* this is not a master struct */
pmsdMaster->bAligned++;
pmsdSlave->pbAligned = &(pmsdMaster->bAligned);
MMDB_OpenTraverse(pmsdSlave);
Cn3D_SetPars(parsThis, pdnmsSlave);
pmsdSlave->bVisible = TRUE; /* turn them all on by default */
pvnAlignment =
fnMarkAlignedResidues(pdnmsMaster, pdnmsSlave, pbsfThis);
if (!pvnAlignment) break;
/* create the spatial transformation */
pdnTransform = NULL;
TransformToDNTRN(&pdnTransform,
((ChemGraphAlignmentPtr) pvnAlignment->data.ptrvalue)->transform);
/* reverse transforms order to pass to Vibrant/shim3d/OpenGL as ValNode */
if (pdnTransform) {
while (pdnTransform->next) pdnTransform = pdnTransform->next;
while (pdnTransform) {
ValNodeAddPointer(&(pmsdSlave->pdnSlaveToMasterTransforms),
pdnTransform->choice, pdnTransform->data.ptrvalue);
pdnTransform = pdnTransform->last;
}
}
/* loop over the slave's models with the transformation */
/*
if (pdnTransform == NULL) break;
pdnmlThis = pmsdSlave->pdnmlModels;
while (pdnmlThis) {
TraverseAtoms(pdnmsSlave, pdnmlThis->choice, 0,
pdnTransform, DoApplyTransform);
TraverseSolids(pdnmsSlave, pdnmlThis->choice, 0,
pdnTransform, DoApplyTransform);
pdnmlThis = pdnmlThis->next;
}
*/
FreeDNTRN(pdnTransform);
pbsThis = pbsThis->next;
pbsfThis = pbsfThis->next;
} /*while pbsThis */
/* after indexing/IBM, store "original" row numbers in corresponding MMD */
Cn3D_StoreAlignRowNumsInMMDs(pbsaThis->seqalign);
break;
default:
break;
}
}
} while (0); /* End-of-TRY-block */
return retval;
}
static void Cn3D_OpenEnableProc(TexT t)
{
Char str[32];
GetTitle(Cn3D_tOpen, str, sizeof(str));
if (StringLen(str) == 0) {
Disable(Cn3D_bOpenAccept);
} else {
Enable(Cn3D_bOpenAccept);
}
return;
}
static void Cn3D_NetOpenAcceptProc(ButtoN b)
{
Char str[32];
BiostrucPtr pbsBiostruc = NULL;
PDNMS pdnmsModelstruc = NULL;
PMSD pmsdThis = NULL;
Int4 MdlNo, MdlLvl;
WatchCursor();
Cn3D_OpenStart();
GetTitle(Cn3D_tOpen, str, sizeof(str));
switch (GetValue(Cn3D_gMdlLvl)) {
case 1:
MdlLvl = ONECOORDATOM;
break;
case 2:
MdlLvl = ONECOORDRES;
break;
case 3:
MdlLvl = ALLMDL;
break;
case 4:
MdlLvl = VECMODEL;
break;
case 5:
MdlLvl = ALLSIMPLEMDL;
break;
case 6:
MdlLvl = BSEVERYTHING;
break;
default:
MdlLvl = ONECOORDATOM; /* set from config-file default */
}
switch (GetValue(Cn3D_gMdlNo)) {
case 1:
MdlNo = 1;
break;
case 2:
MdlNo = 2;
break;
case 3:
MdlNo = 5;
break;
case 4:
MdlNo = 10;
break;
case 5:
MdlNo = 15;
break;
case 6:
MdlNo = 20;
break;
case 7:
MdlNo = MAX_MDLNO;
break;
case 8:
default:
MdlNo = 1; /* set from config-file default */
}
if (GetValue(Cn3D_gMdlLvl) == 6)
MdlNo = MAX_MDLNO; /* get all */
if (GetValue(Cn3D_gAccType) == 1) { /* PDB */
pbsBiostruc = FetchBiostrucPDB(str, MdlLvl, MdlNo);
} else { /* MMDB */
pbsBiostruc =
FetchBS(str, INP_GI, MdlLvl, MdlNo, GetMMDBAPIbExtent());
}
ArrowCursor();
if (pbsBiostruc != NULL) {
WatchCursor();
pdnmsModelstruc = MakeAModelstruc(pbsBiostruc);
ArrowCursor();
}
if (pdnmsModelstruc == NULL) {
/* return a not found error here */
Remove(Cn3D_wNetOpen);
Cn3D_EnableFileOps();
Cn3D_Open_InUse = FALSE;
return;
}
if (GetValue(Cn3D_gMdlLvl) == 5) { /* turn off backbone model if "All" models present */
pmsdThis = (PMSD) pdnmsModelstruc->data.ptrvalue;
MMDB_OpenTraverse(pmsdThis);
}
Cn3D_SetPars(NewStructureRenderSet(), pdnmsModelstruc);
Remove(Cn3D_wNetOpen);
Cn3D_EnableFileOps();
/*CALL TO initialize the view */
Cn3D_Open_InUse = FALSE;
Cn3D_OpenEnd();
return;
}
static void Cn3D_NetOpenCancelProc(GraphiC g)
{
Remove(Cn3D_wNetOpen);
Cn3D_EnableFileOps();
Cn3D_Open_InUse = FALSE;
return;
}
NLM_EXTERN void Cn3D_NetOpenBiostruc(IteM i)
{
GrouP g, hg;
ButtoN b;
if (Cn3D_Open_InUse)
return;
else
Cn3D_Open_InUse = TRUE;
Cn3D_StartNet(TRUE);
if (!Cn3D_ColorData.EntrezOn) return;
Cn3D_wNetOpen =
MovableModalWindow(-30, -20, -10, -10, " Internet retrieve from MMDB ",
NULL);
hg = HiddenGroup(Cn3D_wNetOpen, 3, 0, NULL);
SetGroupSpacing(hg, 30, 30);
g = NormalGroup(hg, 1, 0, " Enter accession code:", systemFont, NULL);
SetGroupMargins(g, 10, 15);
Cn3D_tOpen = DialogText(g, "", 10, (TxtActnProc) Cn3D_OpenEnableProc);
Cn3D_gAccType =
NormalGroup(hg, 1, 2, " accession type", systemFont, NULL);
SetGroupMargins(Cn3D_gAccType, 10, 10);
RadioButton(Cn3D_gAccType, "PDB Code");
RadioButton(Cn3D_gAccType, "MMDB ID");
g = HiddenGroup(hg, 1, 2, NULL);
SetGroupSpacing(g, 15, 15);
Cn3D_bOpenAccept =
DefaultButton(g, "OK", (BtnActnProc) Cn3D_NetOpenAcceptProc);
b = PushButton(g, "Cancel", (BtnActnProc) Cn3D_NetOpenCancelProc);
Cn3D_gMdlLvl =
NormalGroup(Cn3D_wNetOpen, 2, 3, " model complexity", systemFont,
NULL);
SetGroupMargins(Cn3D_gMdlLvl, 10, 10);
SetGroupSpacing(Cn3D_gMdlLvl, 10, 5);
RadioButton(Cn3D_gMdlLvl, "a) NCBI one XYZ per atom model");
RadioButton(Cn3D_gMdlLvl, "c) NCBI backbone model");
RadioButton(Cn3D_gMdlLvl, "b) original PDB models 1-n");
RadioButton(Cn3D_gMdlLvl, "d) NCBI vector model");
RadioButton(Cn3D_gMdlLvl, "Viewing Subset (a, c and d)");
RadioButton(Cn3D_gMdlLvl, "Everything");
Cn3D_gMdlNo =
NormalGroup(Cn3D_wNetOpen, 7, 0, " n = ", systemFont, NULL);
RadioButton(Cn3D_gMdlNo, "1");
RadioButton(Cn3D_gMdlNo, "2");
RadioButton(Cn3D_gMdlNo, "5");
RadioButton(Cn3D_gMdlNo, "10");
RadioButton(Cn3D_gMdlNo, "15");
RadioButton(Cn3D_gMdlNo, "20");
RadioButton(Cn3D_gMdlNo, "maximum");
SetValue(Cn3D_gMdlNo, 7);
SetValue(Cn3D_gAccType, 1);
SetValue(Cn3D_gMdlLvl, 5);
Disable(Cn3D_bOpenAccept);
Cn3D_DisableFileOps();
Select(Cn3D_tOpen);
Show(Cn3D_wNetOpen);
return;
}
/*********************************************/
/* below this are the file i/o open-er procs */
/*********************************************/
NLM_EXTERN void Cn3D_OpenBiostruc(IteM i)
{
Char str[PATH_MAX];
unsigned char szBegin[10];
BiostrucPtr pbsBiostruc;
PDNMS pdnmsModelstruc;
PMSD pmsdThis = NULL;
Int4 MdlNo = MAX_MDLNO;
FILE *hFile;
Char buf[50];
StrCpy(str,"");
GetInputFileName(str, sizeof(str), NULL, NULL);
if(StrCmp(str,"") == 0) return;
WatchCursor();
hFile = FileOpen(str, "rb");
if(hFile == NULL) return;
FileGets((CharPtr) szBegin, 2, hFile);
if (hFile == NULL) szBegin[0] = (Char) 0;
FileClose(hFile);
if(szBegin[0] == 31 && szBegin[1] == 139) {
Message(MSG_ERROR,
"This file may require a newer version of Cn3D. Go to http://www.ncbi.nlm.nih.gov/Structure/CN3D for more information");
return;
}
/* to make cn3d to take strucseq for which szBegin[0] is 78 */
/* for single biostruc szBegin[0] is 48 */
if (szBegin[0] > 70) { /* mime */
if (!OpenMimeFileWithDeletion(str, FALSE)) {
return;
}
} else { /* not mime */
Cn3D_OpenStart();
hFile = FileOpen(str, "r");
FileRead(buf, 1, StrLen(PRINT_FORM_BIOSTRUC), hFile);
FileClose(hFile);
if (StrNCmp(buf, PRINT_FORM_BIOSTRUC, StrLen(PRINT_FORM_BIOSTRUC)) ==
0) { /* ASCII */
/* these get everything in the file , ignoring modellevel */
pbsBiostruc =
FetchBS(str, INP_ASCII_FILE, BSEVERYTHING, MdlNo,
CONVERT_ALL);
} else { /* Binary */
pbsBiostruc =
FetchBS(str, INP_BINARY_FILE, BSEVERYTHING, MdlNo,
CONVERT_ALL);
}
ArrowCursor();
if (pbsBiostruc != NULL) {
WatchCursor();
pdnmsModelstruc = MakeAModelstruc(pbsBiostruc);
pmsdThis = (PMSD) pdnmsModelstruc->data.ptrvalue;
MMDB_OpenTraverse(pmsdThis);
Cn3D_SetPars(NewStructureRenderSet(), pdnmsModelstruc);
ArrowCursor();
} else return;
Cn3D_OpenEnd();
} /* switch between mime and non-mime */
}
/* generic set up for new alignment */
static void Cn3D_ImportSAEnd(SeqAlign *salp, Boolean Neat)
{
SeqAnnot * annot;
PMSD pmsdThis;
PDNMS pdnmsThis;
Uint2 entityID;
PARS pars = NULL;
if (salp == NULL) return;
pdnmsThis = GetSelectedModelstruc();
if (!pdnmsThis) return;
/* close the sequence window */
entityID =
ObjMgrGetEntityIDForPointer((void *) Cn3D_ColorData.pvnsep);
ObjMgrSendMsg(OM_MSG_FLUSH, entityID, 0, 0);
/* fetch the active structure */
pars = (PARS) ((PMSD) pdnmsThis->data.ptrvalue)->pGlobalPARS;
if (pars) {
pars->ConsColAlg = (Nlm_Int2) 0;
pars->PBBColor = C_BYSEQCONS;
pars->PResColor = C_BYSEQCONS;
pars->ObjectOn = FALSE;
}
annot = SeqAnnotNew();
if(annot == NULL) return;
annot->type = 2;
annot->data = salp;
/* change mime type for saving */
if(pdnmsThis) {
pmsdThis = pdnmsThis->data.ptrvalue;
if(pmsdThis) pmsdThis->iMimeType = NcbiMimeAsn1_strucseqs;
Cn3D_MarkStrucSeqs(pdnmsThis, annot);
}
Cn3D_ColorData.pDDVColorGlobal = NULL; /* force creation of new color object */
Cn3D_RegisterSeqAnnot(annot, Neat, Neat); /* register annot? */
Cn3D_StoreAlignRowNumsInMMDs(annot);
Cn3D_LaunchSeqAnnot(annot);
ViewMgr_Update(salp);
Disable(Cn3D_ColorData.BlastMany);
}
#if 0
static void Cn3D_ImportSAEndCB(UDV_BlastDlgData *bddp)
{
if(bddp) Cn3D_ImportSAEnd(bddp->salp, bddp->IBM);
}
/*******************************************************************************
Function : Cn3D_BlastDlg()
Purpose : Blast alignment dialog for multiple alignment
Parameters : i; menu
*******************************************************************************/
NLM_EXTERN void Cn3D_BlastDlg(IteM i)
{
UDV_BlastDlgData *bddp;
if(Cn3D_ColorData.sap) return;
Cn3D_StartNet(TRUE);
if (!Cn3D_ColorData.EntrezOn) {
Message(MSG_ERROR, "Blast requires network access");
return;
}
bddp = (UDV_BlastDlgData *)MemNew(sizeof(UDV_BlastDlgData));
if (bddp == NULL) return;
bddp->pvnSips = SAM_ExtractSips(Cn3D_ColorData.pvnsep);
bddp->callback = Cn3D_ImportSAEndCB;
bddp->IBM = FALSE;
UDV_BlastDlg(bddp);
}
#endif /* 0 */
static void Cn3D_ImportSeqEntry(DDV_ImportDialog *idp)
{
DDVUpdateMSG dum;
Uint2 entityID, entityIDsalp;
ValNode *pvn;
entityID = ObjMgrGetEntityIDForPointer((void *) idp->bsp);
if(Cn3D_ColorData.sap && (idp->mode == DDVIMPNET2SA
|| idp->mode == DDVIMPSE2SA)) {
MemSet(&dum, 0, sizeof(DDVUpdateMSG));
dum.data = &entityID;
dum.type = UPDATE_TYPE_NEWSEQ;
entityIDsalp = ObjMgrGetEntityIDForPointer((void *) Cn3D_ColorData.sap->data);
ObjMgrSendProcMsg(OM_MSG_UPDATE, entityIDsalp, 0, OBJ_SEQALIGN,
0, 0, (Pointer)&dum);
}
if(idp->mode & DDVIMPNET)
{
idp->sep = GetBestTopParentForData(entityID, idp->bsp);
for(pvn = Cn3D_ColorData.pvnsep; pvn != NULL; pvn = pvn->next)
if(pvn == idp->sep) return;
}
ValNodeLink(&Cn3D_ColorData.pvnsep, idp->sep);
idp->sep->next = NULL;
SAM_MakeViewerFree((void *) idp->sep);
if(IS_Bioseq(idp->sep)) GatherSpecificProcLaunch(0, "Seq-Struc Communication",
OMPROC_VIEW, FALSE, entityID, 0, OBJ_BIOSEQ);
else GatherSpecificProcLaunch(0, "Seq-Struc Communication", OMPROC_VIEW,
FALSE, entityID, 0, OBJ_BIOSEQSET);
}
/*******************************************************************************
Function : Cn3D_ImportCBSE()
Purpose : callback for importing single sequence into a seqalign
*******************************************************************************/
static void Cn3D_ImportCBSE(DDV_ImportDialog *idp, SeqAlign *salpdest,
SeqAlign *salp)
{
if (salpdest == NULL || salp == NULL) return;
SeqAlignSetFree(salp->next);
salp->next = NULL;
ViewMgr_Add(salpdest, salp);
Cn3D_ImportSeqEntry(idp);
}
/*******************************************************************************
Function : Cn3D_ImportCB()
Purpose : callback for importing single sequence and creating a new pairwise
seqalign
*******************************************************************************/
static void Cn3D_ImportCB(DDV_ImportDialog *idp, SeqAlign *salpdest,
SeqAlign *salp)
{
if (salp == NULL) return;
SeqAlignSetFree(salp->next);
salp->next = NULL;
Cn3D_ImportSAEnd(salp, TRUE);
Cn3D_ImportSeqEntry(idp);
}
/*******************************************************************************
Function : Cn3D_ImportBioseq()
Purpose : Import a single bioseq via the net
*******************************************************************************/
static void Cn3D_sImportBioseq(Boolean Gap)
{
DDV_ImportDialog *idp;
idp = MemNew(sizeof(DDV_ImportDialog));
if(idp == NULL) return;
idp->AccessionCB = Cn3D_Accession2Gi;
idp->Gap = Gap;
Cn3D_StartNet(TRUE);
if (!Cn3D_ColorData.EntrezOn) {
Message(MSG_ERROR, "Blast requires network access");
return;
}
if(Cn3D_ColorData.sap == NULL) {
idp->sap = NULL;
idp->callback = Cn3D_ImportCB;
idp->pvnSips = SAM_ExtractSips(Cn3D_ColorData.pvnsep);
idp->mode = DDVIMPNET2SE;
}
else {
idp->sap = (SeqAlign *)Cn3D_ColorData.sap->data;
idp->sip = AlnMgrFindMaster(idp->sap);
idp->callback = Cn3D_ImportCBSE;
idp->mode = DDVIMPNET2SA;
}
DDV_ImportBioseqDlg(idp);
}
NLM_EXTERN void Cn3D_ImportBioseq(IteM i)
{
Cn3D_sImportBioseq(FALSE);
}
NLM_EXTERN void Cn3D_ImportBioseqGap(IteM i)
{
Cn3D_sImportBioseq(TRUE);
}
/*******************************************************************************
Function : Cn3D_ImportBioseqFile()
Purpose : Import a single bioseq from a fasta file
*******************************************************************************/
static void Cn3D_sImportBioseqFile(Boolean Gap)
{
DDV_ImportDialog *idp;
SeqEntry *sep; /* need to deallocate! */
Char str[PATH_MAX];
FILE *fp;
Bioseq *bsp;
StrCpy(str,"");
GetInputFileName(str, sizeof(str), NULL, NULL);
if(StrCmp(str,"") == 0) return;
fp = FileOpen(str,"r");
sep = FastaToSeqEntry(fp, FALSE);
FileClose(fp);
if (sep == NULL) {
Message(MSG_ERROR, "Sequence Import Error");
return;
}
if (IS_Bioseq(sep)) {
bsp = (BioseqPtr) sep->data.ptrvalue;
if (bsp != NULL) ObjMgrRegister (OBJ_BIOSEQ, (Pointer) bsp);
} else {
SeqEntryFree(sep);
Message(MSG_ERROR, "Sequence Import Error: must be a single sequence");
return;
}
idp = MemNew(sizeof(DDV_ImportDialog));
if(idp == NULL) return;
idp->sep = sep;
idp->Gap = Gap;
idp->sipslave = SAM_ExtractSips(sep);
idp->AccessionCB = Cn3D_Accession2Gi;
if(Cn3D_ColorData.sap == NULL) {
idp->sap = NULL;
idp->callback = Cn3D_ImportCB;
idp->pvnSips = SAM_ExtractSips(Cn3D_ColorData.pvnsep);
idp->mode = DDVIMPSE2SE;
DDV_ImportBioseqDlg(idp);
}
else {
idp->sap = (SeqAlign *)Cn3D_ColorData.sap->data;
idp->sip = AlnMgrFindMaster(idp->sap);
idp->callback = Cn3D_ImportCBSE;
idp->mode = DDVIMPSE2SA;
DDV_DoAlign(idp);
}
}
NLM_EXTERN void Cn3D_ImportBioseqFile(IteM i)
{
Cn3D_sImportBioseqFile(FALSE);
}
NLM_EXTERN void Cn3D_ImportBioseqFileGap(IteM i)
{
Cn3D_sImportBioseqFile(TRUE);
}
NLM_EXTERN Int4 Cn3D_Accession2Gi (CharPtr string, Boolean IsAmino)
{
CharPtr str;
LinkSetPtr lsp;
Int4 gi;
DocType AAorNN; /* is this of TYP_AA or TYP_NA */
if (!EntrezIsInited ()) {
Message (MSG_ERROR, "Network connection to Entrez unavailable");
return 0;
}
if(IsAmino) AAorNN = TYP_AA;
else AAorNN = TYP_NT;
str = MemNew (StringLen (string) + 10);
sprintf (str, "\"%s\" [ACCN]", string);
lsp = EntrezTLEvalString (str, AAorNN, -1, NULL, NULL);
MemFree (str);
if (lsp == NULL) return 0;
if (lsp->num <= 0) {
LinkSetFree (lsp);
return 0;
}
gi = lsp->uids [0];
LinkSetFree (lsp);
return gi;
}
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