readme

c++编写的并行拉马克遗传算法的程序。实现分析对接程序

dist_3.0/src
------------

This directory contains these source code sub-directories:

addsol     | Program to add solvation parameters to macromolecule ".pdbq" file;
atmtobnd   | Program to convert ".atm" atom files to ".bnd" bond files;
autodock   | Automated docking of small molecules to proteins, version 3.0;
autogrid   | Calculates atomic affinity and electrostatic potential grid maps
           | for use in AutoDock 3.0;
autotors   | Interactively defines rotatable bonds in the ligand and creates
           | a ligand PDBQ file for AutoDock.
makelaunch | Program to create scripts to launch concurrent dockings,
           | group results, and create a clustering docking parameter
           | file for AutoDock;
protonate  | A utility to add polar hydrogens to proteins.

These programs may need to be compiled; check in the dist_3.0/bin
sub-directories to see if the program has already been compiled for your
machine architecture and operating system version.

Please read the README files in each of these sub-directories.