[Chimera-users] calculating charges for Dock
Joshua D Campbell
jdcamp at MIT.EDU
Wed Jun 28 13:50:21 PDT 2006
Hello,
My name is Josh Campbell and I'm trying to prepare a ligand for docking that is
made up of non-standard residues using Chimera. The Dock Prep tool of course
does not assign charges to non-standard atoms. I looked at your UserGuide and
it said that there were other places to calculate non-standard residues using
the Antechamber module, but I could not find any of these tools anywhere in the
Chimera program. If you could give me some clarification as to adding charges
on non-standard residues, I would be very greatful. I am working with "beta
version 1 build 2199 2006/01/24". Thanks.
Sincerely,
Josh Campbell
Harvard Medical School
Laboratory of Structural Cell Biology
More information about the Chimera-users
mailing list