> We have recently begun to use your program to generate electrostatic > potential maps for various antimalarials from pdbs (crystal structures) and > put from Gauss view but are not yet in a position to publish. It crashes for > molecules as large as heme and I am not sure why.
If you can give crash reports, we would greatly appreciate them. Please be sure to indicate what version of Avogadro you're using, what version of the OS, etc. There is one bug related to electrostatic potential surfaces that is fixed in the 1.1.0 development code which should be released soon. But I'd like to make sure we've got as many of these bugs fixed as possible. Thanks, -Geoff ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
