Ok. you filled my mailbox the second time today - please do stop sending junk to the list.
-tommi On Mar 23, 2013, at 3:59 PM, Wei Feng wrote: > Dear Steffi, > Thank you very much for you patient reply! > I have tried to use your script to convert the map format, but no > ***omit_map.coeff can be found in all outputted file. > After "Heavy-atom search, Heavy-atom refinement/SAD phasing and SAD Phasing - > Density Modification" > only two map outputted , one is fourier_map, other is > density_modify.map.(see the attachments). > And the cell parameter of the structure is > 131.598 131.598 80.788 90.00 90.00 120.00 P622(177) > Can you help me to check out why these maps can not be converted by sftools? > Thank you for your time! > Best! > Wei > > > > > > > > > At 2013-03-21 04:13:41,"Stefanie Becker" <stefanie.bec...@uni-konstanz.de> > wrote: > >Hi Wei! > > > >i am very sorry for the belated answer. I checked my notebook and found I > >remembered it incorrectly. Indeed you can do the conversion with SFtools. > >Here is a small script that should do it (you need to change the space group > >and cell parameters of course ) > > > >hope that helps! > >steffi > > > > > >#!/bin/csh -f > >rm temp.mtz > >sftools<<end > >read composite_omit_map.coeff CNS > >156.773 163.390 595.757 90 90 90 > >22 > >END > >write temp.mtz MTZ > >quit > >end > > > >cad hklin1 temp.mtz hklout omit_map_070419.mtz<<eof > >LABI FILE 1 ALL > >LABO FILE 1 E1=FWT E2=PHWT > >end > >eof > > > > > > > > > > > > > >Am Mittwoch, 20. März 2013 02:14 CET, ccp4...@hotmail.com schrieb: > > > >> Dear steffi, > >> Can you give me a link? I did not find it in google. > >> Thank you! > >> Wei > >> > >> > >> > >> > >> > >> > >> > >> > >> 在 2013-03-19 20:55:42，"Stefanie Becker" <stefanie.bec...@uni-konstanz.de> > >> 写道： > >> > > >> >Am Dienstag, 19. März 2013 04:37 CET, Wei Feng <ccp4...@hotmail.com> > >> >schrieb: > >> > Hi! > >> > > >> >don't know if you already got the answer by now, but there is a small > >> >program called map2mtz that should do it (i think you can just google it) > >> > > >> >good luck! > >> >steffi > >> > > >> > > >> > > >> >> Dear all, > >> >> I have used CNS to calculate the experimental phase of my structure. > >> > > >> >> After Heavy-atom search, Heavy-atom refinement/SAD phasing and SAD > >> >> Phasing - Density Modification - Selection of Map. > >> >> Some files outputted: > >> >> sad_phase2.hkl > >> >> sad_phase2.sdb > >> >> density_modify.hkl > >> >> density_modify.map > >> >> density_modify.mask > >> >> ... > >> >> I want to use these files to do the model building, but I do not know > >> >> how to do it in CNS. > >> >> So I want to convert these files to CCP4 format and do the model > >> >> building by ARP/Warp, but I do not know which files should be converted > > > >> >> and which software can be used to convert the file format from CNS to > >> >> CCP4. > >> >> > >> >> > >> >> Thank you for your time! > >> >> Wei >
