Re: [ccp4bb] Off Topic: help locating CNS data

2012-09-21 Thread Edwin Pozharski
If you are looking for reflection files, the tricky part is that in CNS format they did not include the unit cell parameters. Just to locate them, it may be helpful to know that they contain a header that looks like this NREFlection= 49238 ANOMalous=FALSe { equiv. to HERMitian=TRUE} DECLa

Re: [ccp4bb] Off Topic: help locating CNS data

2012-09-21 Thread Jon Agirre
Add another extension to your search: *.mtf If your structure was refined with CNS, chances are you'll find its Molecular Topology File somewhere. Best of luck, Jon 2012/9/21 vellieux > As was mentioned, the diffraction data files can be named according to > the user's wish. But I'd try to l

Re: [ccp4bb] Off Topic: help locating CNS data

2012-09-21 Thread vellieux
As was mentioned, the diffraction data files can be named according to the user's wish. But I'd try to locate files with extensions .hkl, .xpl, .cv (and .cns? although I have never seen that extension used myself) Fred. On 21/09/12 12:10, Rex Palmer wrote: I have been presented with the proble

Re: [ccp4bb] Off Topic: help locating CNS data

2012-09-21 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Rex, CNS uses input files, which are listed e.g. at http://cns.csb.yale.edu/v1.2/ When I used CNS I always had to use 'generate.inp' so i would start search for this. However, they can be freely renamed, I am afraid. Good luck, Tim On 09/21/20

[ccp4bb] Off Topic: help locating CNS data

2012-09-21 Thread Rex Palmer
I have been presented with the problem of locating protein data for a structure which was refined here ten years ago with the CNS program. Unfortunately I have never used this program so do not know what type of files I am looking for (or how many files). Any suggestions please Rex Palmer http:/