[phenixbb] pdb waters
pafonine at lbl.gov
Thu Mar 15 12:41:22 PDT 2007
yes, the waters in your file do not match the Monomer Library
definition. If you simply replace O1 with O that will fix the problem.
ATOM 22792 O HOH X 1 37.309 34.504 -14.174 1.00
ATOM 22792 O1 HOH X 1 37.309 34.504 -14.174 1.00
> I have tried running elbow on my pdb already with no luck. using your
> command I get the error message: elbow.builder: error: no such option:
That makes me thinking that you are using an old version of CCI Apps or
PHENIX. Are you using the latest one?
Is the command you run looks like:
% elbow.builder x.pdb --do-all
Nigel: do you have any comments?
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