On Thursday 16 March 2006 21:37, Miguel wrote: > > On Thursday 16 March 2006 20:37, Egon Willighagen wrote: > > - HETATOM is neglected, so 'select ligand' is not working > > HETATM is supported in some ways ... look at 1A00.cif > > The hemes are HETATMs that get recognized by Jmol.
How are they recognized then? Could not find source code for this, and 'select ligand' selected zero atoms. > > But the first is a problem I think. Will write and commit > > a patch for that now. > > OK. But first you should understand how this case differs from 1A00.cif > ... where we have HOH and heme HETATMs. There was no "atom.isHetero" setting in the CIF reader before my patch. How did the reader detect the water and the heme groups for 1A00 then? Egon -- [EMAIL PROTECTED] PhD student on Molecular Representation in Chemometrics Radboud University Nijmegen Blog: http://chem-bla-ics.blogspot.com/ http://www.cac.science.ru.nl/people/egonw/ GPG: 1024D/D6336BA6 ------------------------------------------------------- This SF.Net email is sponsored by xPML, a groundbreaking scripting language that extends applications into web and mobile media. Attend the live webcast and join the prime developer group breaking into this new coding territory! http://sel.as-us.falkag.net/sel?cmd=lnk&kid=110944&bid=241720&dat=121642 _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
