[MMTK] keeping the order of atoms as in a PDB
rcrehuet at gmail.com
Wed Apr 4 15:13:25 UTC 2012
I'd like to save the coordinates of some atoms, with the same orther they
had in the original PDB. This order is lost when the objects are added to
the universe. But I have found that the order of universe.atomNames()
corresponds to the original PDB. Can I rely on that (or is it pure chance)?
If I can, then, knowing the name of an atom, how can I access its position?
Thanks in advance,
PD. If I cannot rely on that I have other ideas and other questions, but
let's cross fingers first... :-)
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the mmtk