Dear Bob, Each of the 4 chains in 1hjx ends with a residue, Thr383, for which only a single atom, the main chain nitrogen, has coordinates. Jmol (including 12.0.31) fails to recognize this atom as protein, despite it being within group THR.
restrict not (protein, nucleic, hetero) should always select zero atoms, since every atom must be a member of one of those three groups. In the case of 1hjx, it selects 4 atoms, the nitrogens of THR383 in each of the 4 chains. I believe this is a bug. Years ago, there were many such bugs in Jmol. FirstGlance checks for such "anomalous atoms" and marks them with a "?", and spacefills them along with "ligand". I haven't seen any anomalous atoms for a long time, but noticed this one recently. Thanks, -Eric ------------------------------------------------------------------------------ The ultimate all-in-one performance toolkit: Intel(R) Parallel Studio XE: Pinpoint memory and threading errors before they happen. Find and fix more than 250 security defects in the development cycle. Locate bottlenecks in serial and parallel code that limit performance. http://p.sf.net/sfu/intel-dev2devfeb _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
