File: ss_xfer.pml

package info (click to toggle)
pymol 1.8.4.0%2Bdfsg-1
  • links: PTS, VCS
  • area: main
  • in suites: stretch
  • size: 42,248 kB
  • ctags: 24,095
  • sloc: cpp: 474,635; python: 75,034; ansic: 22,888; sh: 236; makefile: 78; csh: 21
file content (35 lines) | stat: -rw-r--r-- 673 bytes parent folder | download | duplicates (6)
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

# ss_xfer.pml:  Copies secondary structure from a source protein
# over to a target protein.  Residue identifiers must match perfectly.
fetch 1t46, async=0
copy source, 1t46
#load 1t46.pdb, source
fetch 1pkg, async=0
copy target, 1pkg
#load 1pkg.pdb, target

# remove all secondary structure assignments

alter all, ss=''

# show unassigned cartoon

as cartoon

# assign sequence to source

dss source

# now read and store assignments based on residue #'s 

stored.ss = {}

iterate source and polymer and name CA, stored.ss[resi]=ss

# and assign them to the target protein

alter target and polymer and name CA, ss=stored.ss.get(resi,'')

# rebuild the cartoon

rebuild