Dear Pymol users and developers,
I need to superimpose more than 200 ligands (same ligand with different
conformations) to one target ligand and obtain the RMSD value.
for example
align 1RGS.pdb 1KMS.pdbalign 1VKS.pdb 1KMS.pdbalign 1CHC.pdb 1KMS.pdb .......
......
I can manually do this action but it take long time. Is there a way to do this
action quick and automatic using pymol ? For your kind information, I have
pymol windows and linux version.
My idea is to group the 200 ligands into various groups based on their
conformation. I found some scripts at
"http://pldserver1.biochem.queensu.ca/~rlc/work/pymol/";. But it is not working
for me. It will be highly beneficial to me, if you could kindly suggest any
idea.
Thank you,
------------------------------------------------------------------------------
Dive into the World of Parallel Programming. The Go Parallel Website,
sponsored by Intel and developed in partnership with Slashdot Media, is your
hub for all things parallel software development, from weekly thought
leadership blogs to news, videos, case studies, tutorials and more. Take a
look and join the conversation now. http://goparallel.sourceforge.net/
_______________________________________________
PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
