dacase Goto Github PK
Name: David A Case
Type: User
Company: Rutgers University
Location: New Brunswick, NJ
David A Case's Projects
3d-rism-cuda
afnmr
Tools to compute NMR chemical shifts for biomolecules
msander
"modern" version of sander, plus some assoicated programs from AmberTools
nabc
Nonperiodic force field calculations, with a "C" language interface rather than the original interface based on the Nucleic Acid Builder (NAB) molecular manipulation language
nmrtk
ensemble optimization from Junchao Xia
omm_amoeba_scripts
Set of scripts for setting up, minimizing, and running AMOEBA simulations entirely with OpenMM
phenix_amber
Force field tools, for integration into the phenix crystallographic refinement package
rdbstat
rdb + stat
rnamotif
Search rna sequnces for matches to a given motif
xtaltools
Scripts to help with setup and analysis of MD simulations of crystals
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