Re: [ccp4bb] transform NMR ensemble with pdbset

2018-11-08 Thread KAUSHIK H.S.
On Thursday, 8 November, 2018, 3:56:39 PM GMT, Pavel Afonine wrote: Perhaps phenix.pdbtools model.pdb rotate=... translate=... which should work with any PDB or mmCIF file. I couldn't figure out what angles goes as input for "rotate=" and "translate=" option of the phenix.pdbtools. 

Re: [ccp4bb] transform NMR ensemble with pdbset

2018-11-08 Thread Pavel Afonine
Perhaps phenix.pdbtools model.pdb rotate=... translate=... which should work with any PDB or mmCIF file. Pavel On Thu, Nov 8, 2018 at 11:36 PM Tim Gruene wrote: > Dear Kaushik, > > you could try moleman2 from the Uppsala Software Factory, > http://xray.bmc.uu.se/usf/moleman2_man.html - maybe

Re: [ccp4bb] transform NMR ensemble with pdbset

2018-11-08 Thread Tim Gruene
Dear Kaushik, you could try moleman2 from the Uppsala Software Factory, http://xray.bmc.uu.se/usf/moleman2_man.html - maybe it keeps those cards in the PDB file. Best, Tim On 11/8/18 4:23 PM, KAUSHIK H.S. wrote: > Hello, > > I want to transform (rotate+translate) structures determined by NMR. 

[ccp4bb] transform NMR ensemble with pdbset

2018-11-08 Thread KAUSHIK H.S.
Hello, I want to transform (rotate+translate) structures determined by NMR.  I tried using pdbset from the commandline.  The program seems to remove "MODEL" and "TER" lines from the coordinate file.  Is there a way to make pdbset retain these lines? or am I missing something obvious? I could spl