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ryanmcgreevy / ModelMaker

ModelMaker plugin of VMD
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Add structure check command #16

Open trudack opened 7 years ago

trudack commented 7 years ago

Make a command that uses the structure check features of vmd (talk to Joao who added something to QwikMD)

Best would be to have also a way to fix it or at least call the structure check plugins

trudack commented 6 years ago

Add the structure check command used in QwikMD to give a text file with cis peptide chirality and Ramachandran outliers as QwikMD does

Add the ring penetration check to structure check command. If there is a ring penetration also cc coloring script fails.

Somehow connect facilitate check of final structure with Molprobity / CaBLAM?