Hi Elaine,
MOE can write *.mol2 files. I used one of those. I could not use viewdockx on that model.
Wonder what was missing in that file…..
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[EXTERNAL]
Hello Krish,
It all depends on what format the MOE docking results are, or can optionally be written, in. Further, not all formats that ChimeraX can read and display as atomic coordinates are interpreted specifically as docking results that will be listed in and interact properly with the ViewDockX interface. Some formats are merely shown as atomic structures but do not "talk" to ViewDockX because they don't have the specific score records expected for a specific format.
For a list of the atomic formats that ChimeraX reads, see:
For a list of the types of docking results recognized as such by the ChimeraX ViewDockX, see:
So if the above are not included amongst the MOE output options, you would have to develop a format conversion process to generate one of them.
I hope this helps,
Elaine
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Elaine C. Meng, Ph.D.
UCSF Chimera(X) team
Department of Pharmaceutical Chemistry
University of California, San Francisco
>
> how to convert docking poses from MOE software to be read into chimerax?
> thanks
> Krish
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