hi, i'd like to know if is possible to make restraints on solvent accessibility of some residues and if it's a good idea for modelling the areas ,on my target, i want to be properly solvent accessible!!! my top file how sould look like? thanks, any hint or ideas is accepted!!!
Remo Calabrese wrote: > hi, i'd like to know if is possible to make restraints on solvent > accessibility of some residues > and if it's a good idea for modelling the areas ,on my target, i want to > be properly solvent > accessible!!! my top file how sould look like? > thanks, any hint or ideas is accepted!!!
You can make such restraints - use feature type 7 (see table 2.3, http://salilab.org/modeller/manual/node100.html#28295). However, I wouldn't recommend it for anything other than energy evaluation, as the first derivatives of this feature are not calculated by Modeller (and thus it won't be optimized).
Ben Webb, Modeller Caretaker
participants (2)
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Modeller Caretaker
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Remo Calabrese