Hi Young-Jin,
Nigel who wrote the phenix.metal_coordination utility isn't back yet from
the holidays. You may be running into a limitation of the utility. To work
around it, I'd try with a temporary copy of the PDB file with the
alternative conformers removed. The resulting .edits should be a good
starting point.
If this doesn't get you on the right track could you send me (not the list)
your pdb file?
Ralf
On Tue, Jan 3, 2012 at 10:19 AM, Young-Jin Cho
Hi everyone and wish your happy new year. I have a question regarding phenix.metal_coordination. when I typed my pdb file that has two alternative conformations of different species including metal such as a metal(B) and a water(A). It seems like, in this case, phenix.metal_coordination doesn't read the metal. Otherwise, is there other way I can let make .edits file for this pdb file?
Thanks always in advance, Young-Jin _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb