[Chimera-users] COX inhibitor demo discrepancy

simon chapman 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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