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Article ID: 290 - Last Modified:

What is the NUSECONS keyword in the Glide docking jobname.in file? How does it influence the constraint settings stored in the jobname.feat file?

The NUSECONS keyword is ignored if your constraint features are specified via a feature file, since that file also specifies the number of constraints and groups to use. NUSECONS is a legacy keyword from when Glide had hard-coded (i.e., not user-configurable) ligand features for each constraint type, so a docking job only had to specify the number of constraints to require (there were no constraint groups at that time). Glide constraint jobs now always use the .feat file, so this keyword is obsolete and really shouldn't be used any more.

Keywords: docking, constraints, feature, NUSECONS

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