Re: [ccp4bb] cif questions

2018-03-09 Thread Paul Emsley
On 08/03/2018 17:55, Thomas, Leonard M. wrote: Hello All, Hello Thomas, We have run into a problem recently when working with cif files for ligands that have been either soaked or cocrystallized with the proteins we are looking at.  Most of the ligands cif files have been used previously a

Re: [ccp4bb] cif questions

2018-03-09 Thread Phan, Jason
I’ve just discovered that for Coot 0.8.8, when importing the cif file for the ligand, select All under the “Select Mol” pulldown menu to get the restraints imported properly, then all the Chi angles become available. HTH. Jason On Mar 8, 2018, at 11:55 AM, Thomas, Leonard M. mailto:lmtho...@o

[ccp4bb] cif questions

2018-03-08 Thread Thomas, Leonard M.
Hello All, We have run into a problem recently when working with cif files for ligands that have been either soaked or cocrystallized with the proteins we are looking at. Most of the ligands cif files have been used previously and while not in the CCP4 library database are available from the p