Jan wrote: > it is an important *feature* that one is able to use within across > multiple model sets. [snip] > this case is called "molecule" in RasMol2.7. and I don't want to load > them as two separate PDB-MODELs in Jmol "animation frames". They could > be addressed for maneuvering independently but should be in the same > MODEL allowing measurements between molecules. [snip] > to overcome the 99999 atomno restiction > " > MODEL > ... > * If a collection contains more than 99,999 total atoms, then more than > one > entry must be made. In such a case the collection is divided between > models > (between an ENDMDL and the following MODEL record) and the model > numbering is > sequential throughout such a set of entries. > "
This is a separate problem. We should not adulterate/mess up the core Jmol architecture just because of quirks in the PDB file format specification. If this is the mechanism that the PDB uses to support more than 100K atoms then it should be handled by the PdbReader. In addition, note that it would be broken today anyway because Jmol will not build connectivity across two models. The 'within' operator should not take coordinates from one model and apply them to other models. I continue to think it is a bug. Miguel ------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid0709&bid&3057&dat1642 _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
