hi I study about the molecular structures taken from the binding database which were downloaded as sdf formats.
When I use the --gen3d option, it takes a long time to reach the 3d structures results, and often it takes more than a day for a large number of molecules, such as 200 molecules in a file, and does not work properly. I do not know why this is happening and what's the problem Sometimes the execution of the obminimize program with mmff94 force filde is also error "force filed cannot set up" Most of these errors occur after several times working For example, if I have three molecules categorizes, the program does not work properly for the third category. To fix the problem, I changed Windows one time, but it was useless I I work in the windows 7 (64 bit) environment and use cmd interface and the open babel version 2.4.1 i have experience with this program properly once before and had no errors thank you for your attention -- Sent from: http://forums.openbabel.org/General-discussion-f3090658.html ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
