Hi There,
I am trying to calculate the rmsd of all ligands loaded in the pymol with
reference to a reference ligand using a script. My current script looks
like this,
myobjects = cmd.get_object_list()
print myobjects
cmd.select('sele', "F60_target_14 and resn UNK")
cmd.create('obj01', 'sele')
for i in myobjects:
i = i.strip()
cmd.sele('sele', i +'and resn UNK')
cmd.create ('obj02', 'sele')
cmd.rms_cur ('obj02', 'obj01')
cmd.delete ('obj02')
obj01 will be my reference and I want to use rms_cur to all objects loaded.
The problems here are,
(1) My obj02 selection part is not working properly. I know I am not
calling the myobject list in the correct way. Could somebody help me fix
this?
(2) I want to write the rmsd values to a file. How can I do it?
Thanks for the help.
Regards,
Subha
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