Tight Waters

13 views
Skip to first unread message

Andrew Orry

unread,
Aug 4, 2020, 1:57:44 PM8/4/20
to MolSoft ICM Knowledge Base
Q. When I convert a protein structure there is an option called "keep tight waters". What defines a tight water?

A.
Tightly bound water molecules are identified by the total strength of hydrogen bonding, calculated as described:

Default cutoff is 5.0, which typically means three or more hydrogen bonds; some water molecules with two hydrogen bonds at near-ideal coordination geometries also can reach the cutoff.

Reply all
Reply to author
Forward
0 new messages