[Chimera-users] COX inhibitor demo discrepancy
rowanlodge19 at gmail.com
Wed Sep 6 04:17:56 PDT 2017
Hi, I'm very impressed with Chimera as a user of only 3 weeks so far
Trying out the various facilities has been a very useful exercise for
completing my Masters in MedChem.
However, when I emulated the tutorial covering COX 1 and 2 inhibition,
inputting the molecules fluribrofen and SC558 I generated via DS Visualiser
bind at the outside edge of the enzymes. Not centrally as displayed in the
I also noted the molecular data in ViewDock, ie: energies etc, is missing.
The table is blank other than the molecule number. Selecting 'Column' etc
has no effect. The 'H-bonds' option does display however.
I've probably done something wrong, hey ho...but can you enlighten me?
Best wishes Simon
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