-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 On Tuesday 01 June 2004 16:03, Miguel wrote: > > Note that there are several options for MOPAC output files. > > "xyz coordinates" is one of them. Are you reading the internal coord or > > the xyz coord? > > Someone here in Spain asked me about internal coordinates this morning. > > Q: Is it important? Or just a nice-to-have?
Internal coordinates are very often used for input for quantum mechanical programs... and can also often be found in the output again. Egon - -- [EMAIL PROTECTED] PhD on Molecular Representation in Chemometrics Nijmegen University http://www.cac.sci.kun.nl/people/egonw/ GPG: 1024D/D6336BA6 -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.0.7 (SunOS) iD8DBQFAvI73d9R8I9Yza6YRAjU6AJ9kBYiHCoeh+IJckL+WvV+3fLEV2gCggs+B GBVSLF9g9Pn2gKH6FHNxYiY= =wvDn -----END PGP SIGNATURE----- ------------------------------------------------------- This SF.Net email is sponsored by: Oracle 10g Get certified on the hottest thing ever to hit the market... Oracle 10g. Take an Oracle 10g class now, and we'll give you the exam FREE. http://ads.osdn.com/?ad_id149&alloc_id�66&op=click _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
