On 8/14/19 3:42 PM, Nicola Zonta wrote: > Hi Greg, > yeah, coordgen issues are probably the best way to keep track of where we > perform poorly.
So... is it "schrodinger/coordgenlibs"? I can open an issue and upload the sdf. (And yes, since we actually need all the protons with labels, I am painfully aware of how crowded the image becomes. Perhaps some day I'll manage to persuade my spectroscopist to use a 3D image instead -- her argument is that having to move the mouse to the other screen to rotate that thing all the time is too distracting.) -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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