Victor wrote: > Jmol v.10.00.24 now correctly identifies de Calcium atoms, > but the oxygens are still shown as Xx atoms.
Victor, The GAMESS output file that you sent me contains atoms identified by 'CA', 'C', and '0'. 'CA' is recognized as calcium 'C' is recognized as carbon '0' is not recognized ... because the character in the GAMESS output file is the digit zero, not the alphabetic letter 'O' ... 0 != O (it is sad ... but also funny :-) I edited the file and changed appropriate characters from '0' -> 'O' ... Jmol loads it fine. I do not know anything about GAMESS or the process that was used to generate this file ... so I cannot tell you whether the problem is in GAMESS itself or was part of your input to GAMESS. Miguel ------------------------------------------------------- SF.Net email is Sponsored by the Better Software Conference & EXPO September 19-22, 2005 * San Francisco, CA * Development Lifecycle Practices Agile & Plan-Driven Development * Managing Projects & Teams * Testing & QA Security * Process Improvement & Measurement * http://www.sqe.com/bsce5sf _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
