Hi Arko, To add to what Gabor mentioned, if you are lucky you can also skip the labin keyword and the columns with phase and amplitude (preferentially FWT PHWT) will be guessed. If you supply both heavy-atom file and mtz, it will look for ncs in the heavy atoms and check it against the map. If no clear ncs is found, it will try again just using the map alone. All the best, Tom T ________________________________________ From: [email protected] [[email protected]] on behalf of Gabor Bunkoczi [[email protected]] Sent: Tuesday, November 25, 2014 4:13 AM To: Arka Chakraborty Cc: [email protected] Subject: Re: [phenixbb] input for specifying labin in phenix.find_ncs Hi Arko, the following works for me: phenix.find_ncs yy.mtz labin="FP=F PHIB=PHI FOM=FOM" I am not sure that find_ncs will use multiple sources of information, i.e. it will either use the PDB file (either heavy atom positions or MR structure), or the MTZ-file (using density). I do not know what happens if you specify both. BW, Gabor On 2014-11-25 10:29, Arka Chakraborty wrote:
Dear Phenix BBers,
I have a seemingly trivial problem in specifying column labels in phenix.find_ncs. Following the manual, on entering labels as : phenix.find_ncs xx.pdb yy.mtz params.ncs.labin = "labin FP=F PHIB=PHI FOM=FOM" , phenix returns the error : 'Sorry, cannot interpret the keyword: params.ncs.labin=labin FP=F PHIB=PHI FOM=FOM'. Any clues on what mistake I might be making will be greatly appreciated.
Thanks a lot,
Regards,
Arko
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ARKA CHAKRABORTY IBMB (INSTITUT DE BIOLOGIA MOLECULAR DE BARCELONA) BARCELONA, SPAIN
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