"Cleanup" of 2D files

Feature Requests item #1914002, was opened at 2008-03-13 21:59
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Category: Commands / Extensions
Group: v 1.0.0
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Geoff Hutchison (ghutchis)
Assigned to: Nobody/Anonymous (nobody)
Summary: “Cleanup” of 2D files

Initial Comment:
I think a cool feature would be to have a “cleanup” mode when reading 2D files. RIght now a warning pops up. Instead, we should ask the user if they want to perform a cleanup. (Yes / No). If yes, the code goes through to change wedge/hash bonds to add +1.0 or -1.0 to the z axis. Then a quick geometry optimization and WeightedRotorSearch.

This would give many people rough 3D coordinates from 2D.


You can respond by visiting:
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