ABCC : Application's document Page

3D-Dock At ABCC
Name: 
3D-Dock
Version(s): 
2.0
Category: 
Molecular Modeling
Author(s)/Vendor(s): 
FTDock V1.0 by Henry Gabb
FTDock V2.0    by Gidon Moont
RPScore        by Gidon Moont
MultiDock V1.0 by Richard Jackson 

Biomolecular Modelling Laboratory
CancerResearch, London, UK
Program Description: 
3D-Dock is a suite of programs capable of predicting the correct binding 
geometry of two biomolecules. FTDOCK does the rigid body docking, 
RPSCORE sorts the resulting complexes results from FTDOCK, and 
MULTIDOCK refines the selected complexes using minimization methods. 

Note: Please quote the following reference in the publications

Jackson R.M. Gabb, H.A. & Stenberg, M.J.E. (1998) "Rapid Refinement
of Protein Interfaces Incorporating Solvation: Application to the 
Docking Problem." J. Mol. Biol., 276(1), 265-285.
Computer platform(s): 
SGI Irix
Linux
Location: 
/usr/local/fbscapp/3D-Dock
Access: 
FTDOCK:

setenv 3DDOCHOM /usr/local/fbscapp/3D-Dock/
To Run ftdock:

$3DDOCHOM/bin/ftdock -static RIGIDMOL -mobile \
MOBILEMOL > output 

NOTE: replace RIGIDMOL, MOBILEMOL by your 3DDOCK parsed
rigid molecule and mobile molecule pdb filenames 

To Run Rpscore:

$3DDOCHOM/bin/rpscore -arguments

Note: for arguments refer to the manual
To Run Filter:

$3DDOCHOM/bin/filter -arguments

Note: for arguments refer to the manual  

To run Multidock:

run the script file under 

$3DDOCHOM/multidock
Documentation: 
PDF 

/usr/local/fbscapp/3D-Dock/3d-dock-manual.pdf

Post-Script 

/usr/local/fbscapp/3D-Dock/3d-dock-manual.ps
Web Site: 
http://www.bmm.icnet.uk/docking/
ABCC Contact Person:
Created By: 
ravichas
Created Time: 
2002-03-27
Updated By: 
ravichas
Updated Time: 
2002-08-13
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