[ccp4bb] how to get a reflection cid file from PDB

2014-08-21 Thread Yamei Yu
Hi all, I download the mmcif file from PDB entry 2V5P, and then I use phenix.cif_as_mtz (or cif2mtz ) to try to convert the cid file to mtz file but I got the following error message:” Sorry: Please specify one reflection cif file.” I also tried several other PDB entries but got the same

Re: [ccp4bb] how to get a reflection cid file from PDB

2014-08-21 Thread Folmer Fredslund
Hi Yu (posting to the board for reference) To get the cif files is quite easy E.g. at http://pdb.org/pdb/explore/explore.do?structureId=2v5p you'd go to the lower right part and get the structure factors from the experimental details box. At http://pdbe.org/2v5p you would click the experimental

Re: [ccp4bb] Disturbing feature with access rights

2014-08-21 Thread Peter Keller
Dear Leo, On Thu, 2014-08-21 at 05:24 +0200, CHAVAS Leonard wrote: Dear all I came along a disturbing feature and I would appreciate to get your lights on this. After rebuilding our data server, plenty of access rights have been changed and various folders have been ‘secured’ by

Re: [ccp4bb] double bonds in oleoyl-CoA

2014-08-21 Thread Wei Shi
Thank you so much, Nigel! I will try as suggested. On Wed, Aug 20, 2014 at 5:17 PM, Nigel Moriarty nwmoria...@lbl.gov wrote: Wei I ran your SMILES string in the latest version of eLBOW and generated the attached file which has a more reasonable bond length for C9-C10. I notice you are

Re: [ccp4bb] Exporting Omit Maps for use in Pymol using CCP4i FFT

2014-08-21 Thread Wei Shi
Thank you guys so much! Fixed! Best, Wei On Wed, Aug 20, 2014 at 4:13 PM, Christian Roth christian.r...@bbz.uni-leipzig.de wrote: Hi Wei, have you supplied a valid pdb file? That is the mentioned missing parameter. Cheers Christian Am 20.08.2014 20:54, schrieb Wei Shi: Hi all,