[ccp4bb] Font problems under Centos8/RHEL8 for ccpem 'FT_Done_MM_Var'

2020-04-03 Thread Kenneth Satyshur
When I download and launch ccpem I get this error: /lib64/libfontconfig.so.1: undefined symbol: FT_Done_MM_Var after looking on google, I found this: https://mathematica.stackexchange.com/questions/189306/cant-launch-mathematica-11-on-fedora-29 cd /home/xray/ccpEM/ccpem-1.4.1/lib mv libfreetype

[ccp4bb] why are the bond lengths all different between D and L amino acids?

2015-06-04 Thread Kenneth Satyshur
We have been trying to deposit our peptide structures with D amino acids in them They are 15 mers all D, with and L racemate, refined in Refmac 5.8.0107 When we run validation, all the D amino acids have bond length outliers, while none of the L do. Example from the validation server: "A bond le

[ccp4bb] partial hydrogen refinement.

2010-11-22 Thread Kenneth Satyshur
Sirs: We are attempting to refine hydrogens on a ligand (which is 100 % occupied) and has ~ 40 heavy atoms (CNO). The data is 1.2 A, 325 AA, 83335 data points in C2. We have refined aniso and with H riding along (Rf= 17, R = 15) in CCP4. Can we individually refine the protons on the ligand? Let t