Difference between revisions of "Rizzo Lab Information and Tutorials"

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*[[Tutorials]]
 
*[[Tutorials]]
 
*[[Benchmarking]]
 
*[[Benchmarking]]
 +
*[[Developer's Info]]
 
*[[Testset Protocols]]
 
*[[Testset Protocols]]
*[[Scoring Functions]]
+
*[[Parameter List/Explanations]]
*[[Sampling Methods]]
+
*[[Example Input Files]]
*[[Analog Library - Pubchem & Zinc]]
+
*[[Advanced Dock Utilities/Information]]
*[[ZINC12 Database]]
 
*[[ZINC15 Database]]
 
*[[DOCK Installation]]
 
*[[Optimize Polar Hydrogens]]
 
*[[Virtual Screening Protocol]]
 
*[[Footprint Plot Visualization]]
 
*[[Sphere Generation]]
 
*[[Release]]
 
 
|}
 
|}
  
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*[[valgrind]]
 
*[[valgrind]]
 
*[[Ghostscript]]
 
*[[Ghostscript]]
|}
 
 
== De novo Design using DOCK ==
 
{| cellpadding=0 width=90%
 
*[[De Novo Design (DOCK_DN)]]
 
*[[Small Molecule Evolution (DOCK_GA)]]
 
 
|}
 
|}
  
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== Analysis Tools ==
 
== Analysis Tools ==
 +
* [[Analysis Tools Repository]]
 
* [[MATLAB]]
 
* [[MATLAB]]
 
* [[Octave]]
 
* [[Octave]]
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*[http://pubchem.ncbi.nlm.nih.gov/ PubChem (ligand database)]
 
*[http://pubchem.ncbi.nlm.nih.gov/ PubChem (ligand database)]
 
*[http://webbook.nist.gov/chemistry/ NIST (small molecule database)]
 
*[http://webbook.nist.gov/chemistry/ NIST (small molecule database)]
*[http://blaster.docking.org/zinc/ ZINC (ligand database)]
+
*[[ZINC12 Database]]
 +
*[[ZINC15 Database]]
 
*[[Families in the Protein Databank]]
 
*[[Families in the Protein Databank]]
 
*[[Automated Family generation from PDB]]
 
*[[Automated Family generation from PDB]]
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== Setting up accounts ==
 
== Setting up accounts ==
 
{| cellpadding=0 width=90%
 
{| cellpadding=0 width=90%
*[[Getting a BNL Account]]
 
 
*[[Activating your Seawulf Account]]
 
*[[Activating your Seawulf Account]]
 
*[[Rotation students Wiki]]
 
*[[Rotation students Wiki]]
*[[Setting up RSA SecureID token]]
 
 
|}
 
|}
  
 
== Miscellaneous ==
 
== Miscellaneous ==
 
{| cellpadding=0 width=90%
 
{| cellpadding=0 width=90%
*[[X-Win32]]  
+
* [[How to write Makefiles]]
 +
* [[X-Win32]]  
 
* [[CVS Commands]]
 
* [[CVS Commands]]
 
* [[Ethernet Cables]]
 
* [[Ethernet Cables]]

Latest revision as of 16:46, 23 January 2020

DOCK

Visualization Software

Basic Linux Tools

Molecular Dynamics

GROMACS

Monte Carlo

Analysis Tools

Databases

Conversion between file types

Setting up accounts

Miscellaneous

Archive