Dear Angel, > In your DMSO file, the atom type for the offending atoms is CT and H1.
Yes, I agree. > This is not supported by mol2 spec. See > http://www.tripos.com/mol2/atom_types.html > http://www.sdsc.edu/CCMS/Packages/cambridge/pluto/atom_types.html Yes > If you cahnge that to just C and H, Jmol behaves. You should maybe > use the proper types, which seem to be C.3, H, S.o, O.2 > They also work in Jmol. OK, but you consider here only the force field atom types from the Tripos force field. This means Jmol is not compatible with other force fields such as CHARMM, AMBER, etc... I think it would be more suitable that Jmol understand many force fields and not only this Tripos force field. The Tripos file format can be used by many programs different from Tripos Inc. For instance Amber force fields use CT, H1 force field atom types. This is why I provided CT, H1 in the force field atom type column of the DMSO.mol2 file... regards, Francois ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
