1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
|
The projects in this workspace are intended for Visual Studio 2005 (VC8).
The various builds all use the same cross-platform source code.
---------------------------------------------------------------------------------------
Single DLL build openbabel.sln
OpenBabelDLL
This makes OpenBabelDLL.dll (or the debug version OpenBabelDLLD.dll)
which contains all of Openbabel except the user interface. This DLL
could be used to access OB's chemical core classes (#include mol.h
and #include obconversion.h) in the calling program, or just the
conversion capabilities, when only obconversion.h needs to be included.
OBComLn
This makes a babel.exe which has the command line interface and calls
OpenBabelDLL.dll.
OBGUII
This makes OBGUII.exe which has the wxWidgets GUI interface and calls
OpenBabelDLL.dll. wxWidgets needs to have been installed.
On VC8 Release builds the babel.exe, OBGUII.exe, OpenBabelDLL.dll and
OpenBabel.lib are put in the OpenBabelDLL folder. In Debug
builds they are in the OpenBabelDLL\debug subfolder.
LIBINCHI.DLL, LIBXML2.DLL, ICONV.DLL, and ZLIB1.DLL also need to be
in the executable folder or on the path specified by the PATH
environment variable.
OBPython
This uses SWIG to generate an interface so that OpenBabel can be used.
from Python.
---------------------------------------------------------------------------------------
Multiple DLL build openbabelOBF.sln
This build produces several DLLs and obf files. The latter are also DLLs
but are loaded when the program starts. The latter provides a method to
add additional formats and other plugin features without recompiling the
program.
OBDLL API, Chemical core
OBConv File conversion
OBError Error handling, plugins, etc.
OBDESC Descriptos
OBFPRT Fingerprints, forcefields
OBCommonFormats smiles, mdl, mol2, pdb formats
OBMoreFormats most of the formats
OBXMLFormats CML, PubChem, reaction formats
OBInchi InChI format
OBMCDL MCDL format
OBUtilFormats molreport, png, povray formats, etc.
FastSearch fastsearch, fingerprint formats
gen3D gen3D op
OBConsole Command-line iterface
OBGUI GUI interface
OBPythonOBF Uses SWIG to generate Python interface.
|
