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|type = script | |type = script | ||
|filename = select_sites.py | |filename = select_sites.py | ||
− | |author = [[User:Speleo3|Thomas Holder] & [User:Tlinnet|Troels Linnet]] | + | |author = [[User:Speleo3|Thomas Holder]] & [[User:Tlinnet|Troels Linnet]] |
|license = BSD-2-Clause | |license = BSD-2-Clause | ||
}} | }} |
Revision as of 17:04, 23 July 2012
Type | Python Script |
---|---|
Download | select_sites.py |
Author(s) | Thomas Holder & Troels Linnet |
License | BSD-2-Clause |
This code has been put under version control in the project Pymol-script-repo |
select_sites make named selections from SITE, LINK, SSBOND, HET records.
A super fast way to annotate the protein, according to the authors input i pdb file.
See:
http://www.wwpdb.org/procedure.html#toc_10
For instance, trypsin (http://www.rcsb.org/pdb/files/1SGT.pdb?headerOnly=YES):
SITE 1 CAT 3 HIS A 57 ASP A 102 SER A 195 SITE 1 AC1 6 ASP A 165 ALA A 177A GLU A 180 GLU A 230 SITE 2 AC1 6 HOH A 259 HOH A 261
This requires that the authors have performed annotation in the pdb file.
Usage
import select_sites select_sites [ selection [, filename [, prefix [, nice [, quiet ]]]]]
nice = 0 or 1: make colored sticks representation for sites {default :1}
Example
fetch 1sgt, async=0
import select_sites
select_sites
Or fetch and select_sites in one go
import select_sites
sites 1sgt