Jing, It may depend on the file format. My experience with crystal formats is null. This is what I know from other formats:
If the file provides atom numbers (like PDB), Jmol will obey them. The atomIndex starts at zero, so it is usually atomNo minus one. Otherwise, i guess that atoms are numbered in the order they are read from file. One important difference is that atom numbers may be dupicated, e.g. when several models are loaded (or a SDF or XYZ file that holds several models in one file). However, atom indexes are sequentiallly incremented across all models and so they are unique. If the model is repeated to generate the crystal, that's more complex; others may be able to tell you. --- El software de antivirus Avast ha analizado este correo electrónico en busca de virus. http://www.avast.com ------------------------------------------------------------------------------ Dive into the World of Parallel Programming! The Go Parallel Website, sponsored by Intel and developed in partnership with Slashdot Media, is your hub for all things parallel software development, from weekly thought leadership blogs to news, videos, case studies, tutorials and more. Take a look and join the conversation now. http://goparallel.sourceforge.net _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
