Re: [ccp4bb] Occupancy refinement of overlapping electron density of a residue and ligand

ther than refine occupancies. Seems that the Arg side chain is curled up Nestor -Original Message- From: CCP4 bulletin board On Behalf Of Heng-Keat Tam Sent: Tuesday, November 5, 2019 10:55 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Occupancy refinement of overlapping elect

[ccp4bb] Problem with Crank2 via ccp4i2

Hi everyone, I have a problem with Crank2 via ccp4i2. The program went through SHELXC/D but it failed in Bp3 with error message as shown below. May I know what is the problem? Thanks for the help. Best regards HK -ERROR- CTaskCrank2:0 Error in wrapper crank2 0.02:: The input objects for tar

[ccp4bb] Couldn't access the log graph in Aimless

Dear all, I have a problem with opening the log graph in the log file in Aimless with CCP4 suite 6.3.0 (perhaps all the log graphs in all the software). Is anybody know why? Then I try to access the log graph with terminal by typing: loggraph name_aimless.log and the error message pop up: Err

[ccp4bb] Methods to calculate the importance of mutated residue on the stability of protein

Dear all, Do anyone know the way to estimate the importance of mutation contributing to the stability of protein? Thanks for the help. Heng-Keat