[ccp4bb] phenix.refine error

2015-07-05 Thread yamei yu
Hi all, Recently I refine a structure with a small molecular covalently linked with it. I apply the cif file of the small molecule to the software (phenix.refine) and in the input file I add the link like this: apply_cif_link { data_link = "TAJ-ASP" residue_selection_1 = "chain

Re: [ccp4bb] topdraw

2015-07-05 Thread Edward A. Berry
I think it is part of ccp4: $CCP4/bin/topdraw On 07/05/2015 10:30 AM, Faisal Tarique wrote: Dear all Can anybody provide me the link to download or install " TopDraw " a topology drawing interface in CCP4..? Thanks -- Regards Faisal School of Life Sciences JNU

[ccp4bb] topdraw

2015-07-05 Thread Faisal Tarique
Dear all Can anybody provide me the link to download or install " TopDraw " a topology drawing interface in CCP4..? Thanks -- Regards Faisal School of Life Sciences JNU

Re: [ccp4bb] on R-free label

2015-07-05 Thread Robbie Joosten
Just run mtzdmp on your file and look at the data columns. The column label should be very obvious. Cheers, Robbie Sent with my Windows Phone Van: Smith Liu Verzonden: ‎5-‎7-‎2015 10:01 Aan: CCP4BB@JISCMAIL.AC.UK

[ccp4bb] on R-free label

2015-07-05 Thread Smith Liu
Dear All, Will you please tell me how to know whether my mtz file has the R-free label or not? SMith