VMD-L Mailing List

From: Sunita Patel (sunita_iitb_at_yahoo.com)
Date: Tue Jan 05 2010 - 19:56:22 CST

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Dear Users,

I am trying to retrieve the atom indexes from the out put of the "measure contacts" command in VMD. The indexes listed in the output of "measure contacts" do not match with the atom indexes of the corresponding PDB file. The VMD manual says that the listed indexes are global index. My question is how can I retrieve the atom numbers of the contact pairs as specified in the PDB file from the output of measure contacts command?

Your help would be highly appreciated.
Regards,
Sunita