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Revision as of 02:16, 28 March 2014
Overview
Load all files of the suffix suff from the directory dirName, where suff and dirName are function parameters.
Install
- copy the source below to the a file called "loadDir.pml" somewhere on your computer
- load the file with "run /your/path/toLoadDir/loadDir.pml"
- run loadDir. See examples below.
Examples
# load the script
run ~/loadDir.pml
# load all SD files from /tmp
loadDir /tmp, sdf
loadDir /tmp, .sdf
loadDir /tmp, *.sdf
# even stupid stuff works; hopefully as one would want.
# load all PDBs from /tmp
loadDir /tmp, foo.woo.pdb
# load all the PDBs in all the directories under ./binders/ERK
loadDir ./binders/ERK/*, .pdb
# load the PDBs into groups: now we can load all the files in the tree under
# ./ERK into the group "ERK" and the files from ./SYK into the group "SYK"
loadDir ./binders/ERK/*, .pdb, group=ERKb
loadDir ./binders/SYK/*, .pdb, group=SYKb
The Code
from glob import glob
from os.path import sep, basename
def loadDir(dirName=".", suff="pdb", group=None):
"""
Loads all files with the suffix suff (the input parameter) from the directory dirName).
dirName: directory path
suff: file suffix. Should be simply "pdb" or "sdf" or similar. Will accept the
wildcard and dot in case the user doesn't read this. So, "*.pdb", ".pdb",
and "pdb" should work. The suffix can be anything valid that PyMOL knows
how to natively load.
group: groupName to add the files to.
example:
# load all the PDBs in the current directory
loadDir
# load all SD files from /tmp
loadDir /tmp, "sdf"
notes:
make sure you call this script w/o quotes around your parameters:
loadDir ., .pdb
as opposed to
loadDir ".", "*.pdb"
Use the former.
"""
g = dirName + sep + "*." + suff.split(".")[-1]
for c in glob( g ):
cmd.load(c)
if ( group != None ):
cmd.group( group, basename(c).split(".")[0], "add" )
cmd.extend("loadDir", loadDir)