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Currently, the positions of flexible sidechains simulated during docking can be retrieved for each sidechain in isolation. The user then has to manually copy-paste the updated positions into the original receptor structure to get a model of the entire receptor with updated sidechain positions. This should be handled by the receptor data structure (chorizo). @nbruciaferri already did work toward this goal in 8a9b5ec
The need for this feature has been mentioned in ccsb-scripps/AutoDock-Vina#319
The text was updated successfully, but these errors were encountered:
Currently, the positions of flexible sidechains simulated during docking can be retrieved for each sidechain in isolation. The user then has to manually copy-paste the updated positions into the original receptor structure to get a model of the entire receptor with updated sidechain positions. This should be handled by the receptor data structure (chorizo). @nbruciaferri already did work toward this goal in 8a9b5ec
The need for this feature has been mentioned in ccsb-scripps/AutoDock-Vina#319
The text was updated successfully, but these errors were encountered: