Re: [Jmol-developers] structure detection?

[nvervell]

De: Egon Willighagen <[EMAIL PROTECTED]> >all the FAH files do not have structure information; no info on residue name, >nor what carbons are the alpha carbons... > >I know you've been looking at secondary structure detection, but what about >alpha carbon detection or even residue detection... I know it might be slow, >but it would be very helpfull to be able to detect certain structure, let's >say alpha carbons to start with... > >I also know that the polyhedral command does a bit of structure detection, >and I was wondering if we could split this out a bit... that is, have a script >command to force detection of certain structures, i.e. alpha carbons, being >a C connected to a N, a C=O... let's just assume we're dealing with proteins >here... that's up to the user of the command (say: find alphacarbon)... > >And when this is in place, we can start add nice graphics to the FAH page... That would be nice :) ------------------------------------------------------- This SF.Net email is sponsored by: IntelliVIEW -- Interactive Reporting Tool for open source databases. Create drag-&-drop reports. Save time by over 75%! Publish reports on the web. Export to DOC, XLS, RTF, etc. Download a FREE copy at http://www.intelliview.com/go/osdn_nl _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers