David Leader wrote: > I'm working with Jmol again (after several months) in relation to my > database-driven web app and have one question and what I fear may be > a feature request. > > 1. There is a limit to the extent that I can zoom a motif of a few > amino acids in a large protein, which is marginally insufficient for > my purposes. This is less than one can get with RasMol. I seem to > remember someone else bringing this up. Anyone remember the outcome? > > In the latest prerelease versions (starting somewhere with 11.1.x) you can zoom in almost indefinetely.
> 2. When working with proteins one often wants to label the amino acid > residue rather than all the atoms in the residue. This can be done by > first selecting the alpha-carbon atom and then applying the label > with commands of the sort: > > select lys95.CA > label Lysine 95 (or whatever) > > My problem is that I am programmatically serving data about the > residues I wish label that only includes their residue number, and it > would be a pain to have to modify the whole app to retrieve the amino > acid types as well. However I can find no way of selecting the alpha > carbon atom just on the basis of residue number, without the residue > type. Am I missing something here? Hope so. > I appreciate that 95.CA alone would be ambiguous as the > number could indicate an atom rather than an amino acid, but > something like select aa95.CA, with 'aa' as a wild card for the > appropriate amino acid, would seem possible. > > David > "select 95.CA" seems to work just fine. And I wouldn't expect any ambiguity because you need to select atom numbers with "atomno=95". Regards, Rolf ------------------------------------------------------------------------- This SF.net email is sponsored by DB2 Express Download DB2 Express C - the FREE version of DB2 express and take control of your XML. No limits. Just data. Click to get it now. http://sourceforge.net/powerbar/db2/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
