greshare.blogg.se - Mac on linux mol

The developed toolkit helps the researchers in following ways: 1).

ParamIT v.1.0 ParamIT is a toolkit aiding the development of molecular mechanical force field parameterization of small, drag like, molecules within CHARMM general force field (CGenFF) protocol.

Open3DALIGN is a command-line tool which is operated by means of a few commands which can be entered interactively from a command prompt, read from a batch script or.

Open3DALIGN for Linux v.2.102 Open3DALIGN is an open-source software aimed at unsupervised molecular alignment.

OFR Analysis Tool v.1.1 The OFR method is a type of steered molecular dynamics method for determining potentials of mean force (PMF) (Phys.

Mangles your data in your favorite scripting language.

Esra v.0.8.2 Esra is a 100% pure java library for the interactive analysis of molecular mechanics data.