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QChASM / SEQCROW

Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output from quantum chemistry computations.
GNU General Public License v3.0
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Conformer generation with cREST not working #5

Closed Leticia-maria closed 10 months ago

Leticia-maria commented 1 year ago

When I try to run conformer generation, it says it did not find the path for crest. Where and how do I define it on chimera X (I am using macOS)

ajs99778 commented 1 year ago

The CREST executable path is specified in the "SEQCROW Jobs" tab of the ChimeraX settings. I think the settings on Mac are under the "Preferences" menu.

ajs99778 commented 1 year ago

were you able to get this working?