VGuide is a python GUI that provides an easy, and fast way to load, edit, and generate a directory of simulation folders and input files to run VM2. VGuide main function is to automatically edit input files, but it has many features including tools to help you generate new simulation folders, connecting to remote servers, and many more.
Open existing VM2 folders and edit the input sections as an entirety. Save to any location with validation functions.
Add, or edit sections listed in the VM2 Manual. Clear instructions for each section and it’s requirements.
Tools and functions to make building input files and directories easy. From auto finding files, to importing tools help you build VM2 directories fast and easy.
Visualize your subdirectories as a whole. Quickly edit your input files using tools readily available including undoing, and restart functions.
Connect to any server and use any of the functions and tools to build your input files loading files from any server.
VeraChem’s state of the art computational chemistry software is capable of protein-ligand and host-guest binding affinity prediction, fast calculation of accurate partial atomic charges for drug-like compounds, computation of energies and forces with empirical force fields, automatic generation of alternate resonance forms of drug-like compounds, conformational search with the powerful Tork distort-minimize algorithm, and automatic detection of topological and 3D molecular symmetries.
VeraChem LLC
12850 Middlebrook Rd Ste 205
Germantown
MD 20874-5244
Voice: 240-686-0565
Fax: 240-686-0564
General e-mail:
vc@verachem.com
Commercial licensing:
sales@verachem.com
Customer support:
support@verachem.com