[cctbxbb] Molprobity / CCTBX incompatibility

Robert Nolte robert.t.nolte at gsk.com
Sun Aug 11 09:39:04 PDT 2019


We are trying to reinstall our internal molprobity server, and have hit an issue with the github version where it appears to be a version conflict with the version of cctbx that is currently being downloaded by configuration script in the master branch of molprobity. We are getting errors when we run the validation routine such as

Unrecogized PHIL parameter: data_version=8000

or

Unrecognized PHIL parameter: clash_cutoff=-0.4

The analysis for clashscore, rotalyze, are failing to run and we get a number of divide by zero errors for several of the other 'visualize' and 'eff_resolution' routines.

Can you help get this working.
                Thanks,
                Bob Nolte




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