Re: [ccp4bb] coot install problems under Mac OS X 11 (El Capitan)

2017-09-25 Thread Barry Finzel
e Molecular Biology of RNA > University of California at Santa Cruz > Santa Cruz, California 95064 > USA > > http://scottlab.ucsc.edu > > > On Sep 23, 2017, at 12:11 PM, Barry Finzel wrote: > > > > I've been trying to get coot running on my MacBook Pro after

[ccp4bb] coot install problems under Mac OS X 11 (El Capitan)

2017-09-23 Thread Barry Finzel
th windows from other software, either - just coot. Is this a problem others have observed and/or dealt with? --Barry Finzel

[ccp4bb] X-ray photolysis of azido groups

2015-06-16 Thread Barry Finzel
Someone once told me they believed that azido functional groups (R-N=N=N) were subject to X-ray photolysis and may not remain intact during crystallography. I can certainly find MANY examples of azido groups that appear NOT to be photolyzed in macromolecular structures in the PDB, beginning with

Re: [ccp4bb] Data mining interactions in the PDB

2013-10-29 Thread Barry Finzel
If you are interested in finding other interactions that look like one particular one, rather than just classifying things (e.g., "is this cyan, sea-foam, turquoise or teal?"), then I'd recommend the substructure searching capabilities of the DrugSite server You can specify any arbitrary s

Re: [ccp4bb] DNA structures superimpose

2013-04-12 Thread Barry Finzel
Measuring Angles is another matter, but the superposition services of the DrugSite will align an arbitrary selection of DNA residues (the moving molecule) onto a target residue selection on another structure. The selection can include a duplex, or even a duplex and some protein residues.

Re: [ccp4bb] Superposing nucleic acids

2013-01-22 Thread Barry Finzel
Minimally, I believe you want to use P and C1'. (This has been done by others, including Pabo and Pabo & Nekludova, J.Mol. Biol., 301:597-694 (2000). I actually prefer to use all backbone atoms: P O5' C5' C4' O3' C3' C2' C1' O1' Barry Fi