Re: [ccp4bb] making sure related molecules occupy the same space

2014-09-12 Thread James Holton
I was not aware of cphasematch! I'll have to incorporate that into my script below. What I do for this sort of thing is run a little script of mine called " origins.com". You can get a copy of it here: http://bl831.als.lbl.gov/~jamesh/challenge/rightanswer/origins.com It is a tcsh script, so jus

Re: [ccp4bb] making sure related molecules occupy the same space

2014-09-11 Thread T. Nakane
sure related molecules occupy the same space Here is a very common scenario for me. You run several MR jobs, say to search for 2 mols/asymm unit , maybe with different models or using different programs.. You get several solutions, probably on different origins and/or related by some symmetry

Re: [ccp4bb] making sure related molecules occupy the same space

2014-09-11 Thread Seijo, Jose A. Cuesta
.se...@carlsberglab.dk> From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Eleanor Dodson Sent: Thursday, September 11, 2014 11:44 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] making sure related molecules occupy the same space Here is

Re: [ccp4bb] making sure related molecules occupy the same space

2014-09-11 Thread Seijo, Jose A. Cuesta
...@carlsberglab.dk<mailto:josea.cuesta.se...@carlsberglab.dk> From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Eleanor Dodson Sent: Thursday, September 11, 2014 11:44 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] making sure related mol

[ccp4bb] making sure related molecules occupy the same space

2014-09-11 Thread Eleanor Dodson
Here is a very common scenario for me. You run several MR jobs, say to search for 2 mols/asymm unit , maybe with different models or using different programs.. You get several solutions, probably on different origins and/or related by some symmetry operator. How best to overlap them? My way is