Dear Tommi, the molrep documentation implies to me that 'MOLREP with electron density map' in CCP4i2 should do this. I don't have data to test it, though.
Best, Tim On Wednesday 18 January 2017 02:25:40 PM Kajander, Tommi A wrote: > Hi, > > is the phased translation function in MolRep still working under CCP4 - > doenst seem to go forward with the old CCP4 GUI (i cant get any coordinated > out phased or not) and the new one (CCP4i2) doesnt seem to have that > option? (in other words i cant get any solution written out as > coordinates). > ----- > > I just get eg something like : > > > --- convert "molrep.crd" to "molrep.pdb" --- > Time: 15h 57m 14s Elapsed: 0h 27m 19s > > OPENED INPUT MTZ FILE > Logical Name: /Users/tkajande/….../overall_best_refine_data.mtz Filename: > /Users/tkajande/…../overall_best_refine_data.mtz > Data line--- LABIN F=FP SIGF=SIGFP > > OPENED INPUT MTZ FILE > Logical Name: /Users/tkajande/……./overall_best_refine_data.mtz Filename: > /Users/tkajande/…../overall_best_refine_data.mtz > SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib > SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib > SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib > SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib > SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib > SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib > SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib > SYMINFO file set to /Applications/ccp4-7.0/lib/data/syminfo.lib > > #CCP4I TERMINATION STATUS 1 > #CCP4I TERMINATION TIME 18 Jan 2017 15:57:50 > #CCP4I TERMINATION OUTPUT_FILES XXX_42_molrep.doc XXX_42_molrep.xml > XXX_42_rf.molrep_rf XXX_42_align.pdb #CCP4I MESSAGE Task completed > successfully > > > > (probably not a good solution but also output file name does not match the > one suggested.. starting to get bit tired of it...) > Thanks, > Tommi > > > > > -- -- Paul Scherrer Institut Dr. Tim Gruene - persoenlich - Principal Investigator Biology and Chemistry OFLC/102 CH-5232 Villigen PSI Phone: +41 (0)56 310 5297 GPG Key ID = A46BEE1A
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