this is of course possible with PyMOL, try this:
pdbid, chain = '1a00', 'A'
cmd.fetch(pdbid, async=0)
cmd.symexp('__neighbors', pdbid, pdbid + ' and chain ' + chain, 5.0)
print 'Number:', len(cmd.get_object_list('(__neighbors*)'))
cmd.delete('__neighbors*')
cmd.delete(pdbid)
Cheers,
Thomas
On 07/14/2011 01:48 PM, sukanta mondal wrote:
I know, in PyMOL using 'symexp' possible to generate symmetry related
molecules for a given crystal structure. But I'm looking for some
program/software (for batch) by which I can find out the number
of symmetry related molecules (distance cutoff<= 5A) interacting with
a given chain in a crystal structure.
Thanking you,
suku
NIBIO, Osaka
--
Thomas Holder
MPI for Developmental Biology
Spemannstr. 35
D-72076 Tübingen
