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-CellSymmetry). 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 David

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] 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

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 but I