User contributions for Sudipto
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23 March 2016
- 23:5923:59, 23 March 2016 diff hist +34 DOCK 6 →Manual
- 23:5823:58, 23 March 2016 diff hist +18,621 N Ligand Flexibility Created page with " The internal degrees of freedom of the ligand can be sampled with the anchor-and-grow incremental construction approach. This conformational search algorithm has been valida..." current
- 23:4723:47, 23 March 2016 diff hist +25 DOCK 6 →Manual
- 23:4623:46, 23 March 2016 diff hist −6 Internal Energy Calculation No edit summary current
- 23:4523:45, 23 March 2016 diff hist +1,151 N Internal Energy Calculation Created page with " During growth and minimization, an internal energy scoring function can be used. The goal of the internal energy function is to reduce the occurrence of internal clashes..."
- 23:4423:44, 23 March 2016 diff hist +34 DOCK 6 →Manual
- 23:4423:44, 23 March 2016 diff hist +6,553 N Orienting the Ligand Created page with " =Sphere Matching= The rigid body orienting code is written as a direct implementation of the isomorphous subgraph matching method of Crippen and Kuhl (Kuhl et al. J. Compu..." current
- 23:4023:40, 23 March 2016 diff hist +27 DOCK 6 →Manual
- 23:4023:40, 23 March 2016 diff hist +1,536 N Database Filter Created page with " The Database Filter is designed for on-the-fly filtering of small molecules from the database during docking. Filtering small molecules by heavy atoms, rotatable bonds, mole..." current
- 23:3023:30, 23 March 2016 diff hist +22 DOCK 6 →Manual
- 23:2823:28, 23 March 2016 diff hist +3,684 N Ligand File Input Created page with "=Ligand File Input= Before you can dock a ligand, you will need atom types and charges for every atom in the ligand. Currently, DOCK only reads the Tripos MOL2 format. For a ..." current
- 23:2423:24, 23 March 2016 diff hist +24 DOCK 6 →Manual
- 23:2323:23, 23 March 2016 diff hist +1,038 Command line arguments in DOCK6 No edit summary
- 23:2223:22, 23 March 2016 diff hist −188 DOCK 6 →Manual
- 23:1823:18, 23 March 2016 diff hist +3,647 N Command line arguments in DOCK6 Created page with "=Command-line Arguments= DOCK must be run from the command line in a standard unix shell. It reads an input parameter file containing field/value pairs: USAGE: dock6 -i do..."
- 23:1023:10, 23 March 2016 diff hist −70 Installing DOCK 6 No edit summary
- 23:0823:08, 23 March 2016 diff hist −53 Installing DOCK 6 No edit summary
- 23:0223:02, 23 March 2016 diff hist +20 DOCK 6 Added to Category DOCK 6
- 23:0023:00, 23 March 2016 diff hist +6,092 N History of DOCK 6 Created page with "=Version 1.0/1.1= Authors: Robert Sheridan, Renee DesJarlais, Irwin Kuntz The program DOCK is an automatic procedure for docking a molecule into a receptor site. The recepto..."
- 22:5622:56, 23 March 2016 diff hist +10,053 N What does DOCK do? Created page with " The DOCK suite of programs is designed to find favorable orientations of a ligand in a “receptor.” It can be subdivided into * those programs related directly ..."
- 22:5022:50, 23 March 2016 diff hist +25 DOCK 6 →Manual
- 22:4922:49, 23 March 2016 diff hist +909 N DOCK Accessories Created page with " The relationship between the main programs in the dock suite is depicted in Figure 1. These routines will be described below. < insert dock6_manual_files/dock_workflow.JPG >..."
- 22:4722:47, 23 March 2016 diff hist +23 DOCK 6 →Manual
- 22:4522:45, 23 March 2016 diff hist +8,100 N Installing DOCK 6 Created page with " DOCK is Unix based scientific software and follows a common installation recipe: download, unpack, configure, build, and test. The simple configuration scheme of DOCK is..."
- 22:2922:29, 23 March 2016 diff hist +1,369 DOCK 6 No edit summary
- 22:1722:17, 23 March 2016 diff hist 0 Category:Docking →Docking Programs