Pinned Repositories
AutoDock-GPU
AutoDock for GPUs using OpenCL
colvars
Collective variables module for molecular simulation and analysis programs
deltavina
DeltaVina scoring function
fastmerge
Tool for quickly merging together molecules saved as .js files made in VMD.
files_lignin
All GROMACS initializing files for lignin structures in poplar/switchgrass
LigninBuilder
VMD Plugin and associated scripts to build lignin structures from topological specifications
Software-Building-Instructions
Instructions for Building Software on Various Platforms
vmd-packaging-instructions
Instructions for how to package VMD for Ubuntu and not pull your hair out in the process.
vmd-tprreader
Molfileplugin for VMD that lets me read in GROMACS tpr files
zerotemperaturestring
Python Implementation of the zero temperature string method
jvermaas's Repositories
jvermaas/LigninBuilder
VMD Plugin and associated scripts to build lignin structures from topological specifications
jvermaas/Software-Building-Instructions
Instructions for Building Software on Various Platforms
jvermaas/vmd-tprreader
Molfileplugin for VMD that lets me read in GROMACS tpr files
jvermaas/vmd-packaging-instructions
Instructions for how to package VMD for Ubuntu and not pull your hair out in the process.
jvermaas/fastmerge
Tool for quickly merging together molecules saved as .js files made in VMD.
jvermaas/zerotemperaturestring
Python Implementation of the zero temperature string method
jvermaas/AutoDock-GPU
AutoDock for GPUs using OpenCL
jvermaas/colvars
Collective variables module for molecular simulation and analysis programs
jvermaas/deltavina
DeltaVina scoring function
jvermaas/files_lignin
All GROMACS initializing files for lignin structures in poplar/switchgrass
jvermaas/GridDataFormats
GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.
jvermaas/hmmmsolvents
Companion to the SCSE and SCSM solvent paper, with code to make it easier to use!
jvermaas/latexcodec
Lexer and codec to work with LaTeX code in Python.
jvermaas/lignin-kmc
jvermaas/LigninGraphs
Lignin Structure Determination with Multiscale Graph Modeling
jvermaas/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
jvermaas/ParmEd
Parameter/topology editor and molecular simulator
jvermaas/pbctools
Note that the pbctools are not developed in this repository anymore, but in the main VMD code.
jvermaas/pchem-purdue.github.io
jvermaas/pynamd
Python Tools for NAMD
jvermaas/solventboxgeneration
Scripts and tools to generate solvent boxes suitable for use with the VMD solvate plugin
jvermaas/topotools
VMD plugin for manipulating topology information
jvermaas/turkeyrun
jvermaas/vecexpr
Vector-based pocket calculator for Tcl.
jvermaas/vmd-python
Installable VMD as a python module