Wolfram
There is a bug that adds the hydrogen. I corrected it and generated
the attached file. The bug fix will be in a future nightly build very
soon. Note that the hydrogens are not on the phosphates because eLBOW
assumes a neutral pH. If you want them, I can provide a restraints
file including them.
Thanks
Nigel
On Thu, Jun 2, 2011 at 7:32 AM, wtempel
Dear colleagues, am I alone in thinking that in my example phenix.elbow gave me more than what I was asking for, specifically atom H11 attached to sulfur? Is it added by elbow, or does it originate from the "--chem=tpp" input? Best regards, Wolfram Tempel
command line: phenix.elbow --chem=tpp --mogul phenix version: 1.7.1-743
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