Could someone with experience using Spartan files in Jmol give me some help? What I did in Spartan is to create a butane molecule and save it. Then I defined a dihedral angle and did an Energy Profile calculation varying that dihedral angle from -180 to 180 with 24 steps. The results of that calculation were then saved separately. The first is called nbutane.spardir. The second is called butane.spardir. In Jmol the simpler nbutane.spardir file is displayed as expected. The second, butane.spardir, is not displayed and instead gives the following error message:
Error reading file at line 7: BEGIN Directory Entry file:/Users/jeffhans/Sites/Jmol/jmol/models/ butane.spardir/M0001/proparc 9 for file file:/Users/jeffhans/Sites/Jmol/jmol/models/butane.spardir type spartan directory Does anyone know what I'm doing wrong and how to fix it so I can see this molecule in Jmol? What I'm looking to see is a file loaded that has multiple models so I can see each conformer. Thanks for any help you can provide. *********************************************** Jeff Hansen Department of Chemistry and Biochemistry DePauw University 602 S. College Ave. Greencastle, IN 46135 [EMAIL PROTECTED] *********************************************** ------------------------------------------------------------------------- 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 Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
