Nigel W. Moriarty

Tom Can you tell me why DEN is default? Do you have any tests for these changes? Cheers Nigel --- Nigel W. Moriarty Building 33R0349, Molecular Biophysics and Integrated Bioimaging...

Does setting link_carbohydrates=False solve the problem. Do your manual links do all that you need? Cheers Nigel --- Nigel W. Moriarty Building 33R0349, Molecular Biophysics and Integrated Bioimaging Lawrence Berkeley...

Have you tried without the manual files to see if autolinking works? Cheers Nigel --- Nigel W. Moriarty Building 33R0349, Molecular Biophysics and Integrated Bioimaging Lawrence Berkeley National Laboratory Berkeley,...

Have you tried following the suggestion in the traceback about setting an environmental variable to suppress the seg. fault? It works some of the time. Will take a look at...

Do you have a small script that reads the file? Would save me some time.

I have updated the branch to contain working tests. You need to update GeoStd. @terwill Can you, when you have fixed the bugs for the release, git checkout two_new_standard_amino_acids and...

@sarahbuzz Have you solved your issue?

Looks like the CCP4 restraints library has different ideas about the atom names compared to Phenix library. To debug, we need more output from the test. Setting the env. var....

I have the two versions on my OSX 10.12. This is the sequence of commands that show the difference. The first is MOPAC2016 and the second is the conda installed...

I've tried to conda install on a Linux box without success. I will engage the sys admin to see if we can conda install and I'll attempt to compile on...