Dock67

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Preamble

This page describes the changes and novelties introduced in version 67 of the Shoichet lab docking environment, commonly referred to as dock67. The corresponding value of $DOCK_BASE is /raid1/soft/dock67

Changes

DOCK

The current version of DOCK gzips test.eel1 and OUTDOCK.

solvmap

There is a new version of solvmap, which has a bugfix for the "blank lines bug" that caused the solvation penalties to be wrong. The output of the new version can be recognized by the fact that the last three numbers on the first line are floats. This format of the colvmap is required by the latest version of DOCK.