On 03/05/2021 14:07, vincent Chaptal wrote: > A small bug report and the fix. > > I've been trying to apply/change chain IDs using coot for a pdb containing a > series of models from a MD > trajectory. > The pdb has been separated into individual models for individual chain > renaming. > For model 1, it works fine. > For model 2, coot crashes. -> changing model 2 for model 1 makes it work > again and fixes the problem. > > the beginning of the pdb is like this: > > REMARK GENERATED BY TRJCONV > TITLE PROTEIN t= 30000.00000 step= 7500000 > REMARK THIS IS A SIMULATION BOX > CRYST1 102.787 98.059 152.041 90.00 90.00 90.00 P 1 1 > MODEL 1 > ATOM 1 N GLY 0 17.960 63.850 79.550 1.00 0.00 > ATOM 2 H1 GLY 0 18.590 64.360 80.130 1.00 0.00 > > we are using coot 0.9.4, under wincoot standalone, or macOS downloaded via > CCP4. Both build create the same > problem.
Thanks Vincent, I was able to track this down quickly and have commited a fix (it was ancient code). It will be available in the next release, which will be out soon (a week or so). Regards, Paul. ######################################################################## To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT&A=1 This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
