development+manual 源代码

cluster cluster Authors: Brian Shoichet, Irwin D. Kuntz Overview cluster allows greater fl

Getting Started Getting Started written by Cindy Corwin and Todd Ewing Figure 1. Docking Task Flowchart

Ligand Preparation Ligand Preparation Single Ligand Before you can dock a ligand, you will need atom types and charg…

SYBYL MOL2 format SYBYL MOL2 format This format is used for general molecule input and output of dock. Although previ…

charge charge Author: Daniel Gschwend charge is a simple nawk script which provides residue composition for a pro…

Parameter Files Parameter Files Introduction The parameter files contain atom and bond data needed during dock calcu…

PDB format PDB format This format should be used only for display purposes. Since it does not contain fields for atom…