[ccp4bb] MOLREP bug..

2024-01-25 Thread Eleanor Dodson
I give MOLREP am input mtz with space group R32:H or R32 or H32 (entered as R32:H) But MOLREP claims the SG is default_PST_limit : 0.250 of origin peak PST will not be used. If you like to use PST, use keyword PST = Y * Space group : H 3* No: 146 Sett: 2 Cell: 185.73

[ccp4bb] MOLREP bug: error when using "input fixed model"

2011-08-07 Thread zhongchou chen
Dear all, Recently, I used MOLREP to molecular replacement. My OS is fedora 14 and CCP4 version is the newest one ccp4-6.2.0 . When I run a pdb file and mtz by MOLREP without input fixed model, everything is right. However, when I run it by MOLREP when using "input fixed model". The e