Re: [COOT] automated update of PDB file

2009-04-27 Thread Nathaniel Echols
> > I'm looking for a script that automatically loads a PDB file when it has >> changed on disk in order to display the changes with a previous version of >> that file. >> > Here is a Python version. I prefer to overwrite the old molecule - but this will work either way. (I think - it is untested

Re: [COOT] DNA mutation

2009-04-27 Thread Paul Emsley
Pierre Aller wrote: On Apr 7, 2009, at 2:37 PM, William G. Scott wrote: Looks like you might be mutating into RNA (hence the non-canonical little r). But that is ok. RNA is inherently more interesting. On Apr 7, 2009, at 10:48 AM, Pierre Aller wrote: Hi all, I am using the last version of

Re: [COOT] monomer DB

2009-04-27 Thread Paul Emsley
Justin Lecher wrote: Hi all, what is the difference between the monomers db which is provided by coot and the one which is provided by refmac/ccp4? Can one interchange them? Coot uses the Refmac dictionary. As far as I know, there should be no differences. Yes, they are interchangeable.

Re: [COOT] [ccp4bb] Watertidy troubles

2009-04-27 Thread Paul Emsley
Andrii Ishchenko wrote: You can do this using coot. Just switch on showing symmetry mates(menu Draw->Cell&Symmetry). Then save the needed by "Save Symmetry Coordinates Option" in menu File. Waters coordinates will be saved as well. [changing bbs] And just for the record, the function that Dav

Re: [COOT] 'Isolate' Coot's Python2.6 from Ubuntu system

2009-04-27 Thread Paul Emsley
Victor Alves wrote: Hello Paul I removed those 4 files from Coot-0.6/bin and bingo, now Ubuntu reports its own Python version and Coot is also working fine. OK, so now I have removed python things from bin dir in the binary tar files - which should come into effect over the weekend (if I don'

Re: [COOT] Coot versions

2009-04-27 Thread Paul Emsley
Victor Alves wrote: Hello First, thank you to Kay and Paul for their answers. But on this red/green builds I didn't quite get it (maybe because my question and Kays' answer got mixed up). Should I then use or not a red marked build? :) Yes, you can use builds marked red.

Re: [COOT] Problem with the element symbol for metal ions in PDB

2009-04-27 Thread Paul Emsley
Tiancen Hu wrote: Dear all, Some problems occurred when coot was dealing with the element symbol (columns 77-78) for two Mn2+ ions in the PDB file. Here is the description: Coot version: 5.0.2, Mac OS X Problem trigger: 1) I used Phenix to refine the structure. The element symbols for the tw

Re: [COOT] automated update of PDB file

2009-04-27 Thread Paul Emsley
Tim Gruene wrote: Hello, I'm looking for a script that automatically loads a PDB file when it has changed on disk in order to display the changes with a previous version of that file. How about this: (define *updating-file-name* "xxx.pdb") (let ((stat-updated-file 0)) (gtk-timeo

[COOT] Problem with the element symbol for metal ions in PDB

2009-04-27 Thread Tiancen Hu
Dear all, Some problems occurred when coot was dealing with the element symbol (columns 77-78) for two Mn2+ ions in the PDB file. Here is the description: Coot version: 5.0.2, Mac OS X Problem trigger: 1) I used Phenix to refine the structure. The element symbols for the two Mn2+ ions wer

[COOT] automated update of PDB file

2009-04-27 Thread Tim Gruene
Hello, I'm looking for a script that automatically loads a PDB file when it has changed on disk in order to display the changes with a previous version of that file. Cheers, Tim -- Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A