Liu hai, I've forwarded this reply to Jmol-users, because I think others would be interested in it.
All: Liu hai has a mol2 file with comments at the beginning. This tricked Jmol into thinking it was a MOL file rather than a MOL2 file. If you are ever in this situation where you know a file has a certain format but Jmol doesn't seem to read it, try the new feature of Jmol 11 that allows you to force Jmol to read the file as a given file type. The way you do this is to give the file type along with two colons: load mol2::1a7x_ligand.mol2 So,Liu hai, that is all you need in this case. Most file types can be forced this way. The list of prefix file types is not yet documented. It includes (I believe): Adf Cif Csf Cube FoldingXyz Gamess Gaussian GhemicalMM Hin Jaguar Jme Mol Mol2 MopacGraphf Mopac NWChem Odyssey OdysseyXML Pdb Pqr Psi Qchem Shelx Spartan SpartanSmol V3000 WebMO Xyz 刘志海 wrote: >Hello hanson: > I met a problem when using JMOL,when displaying a MOL2 ligand file, >prompted an error "no atoms found...", while transformed by Sybyl to standard >Mol2 format,it can be displayed normally. > > I just don't know what's the difference between the two Mol2 files,just add >a space character at the end of each line in standard Mol2 format. So I report >this problem to you and wanna find out what's the reason. > > I would appreciate for your rigorous attitude and effort if this problem can >be explained,thanks! I attached the Mol2 files in email,please check it out. > > >yours sincerely >Liu hai > >shanghai institute of organic chemistry(SIOC),Chinese Academy of Sciences > > > > -- Robert M. Hanson Professor of Chemistry St. Olaf College Northfield, MN http://www.stolaf.edu/people/hansonr If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------- This SF.net email is sponsored by DB2 Express Download DB2 Express C - the FREE version of DB2 express and take control of your XML. No limits. Just data. Click to get it now. http://sourceforge.net/powerbar/db2/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
