Ermod 0.2.1 and 0.3.alpha1 released
Shun Sakuraba
Ermod 0.2.1 is released. This is a maintenance release, and users having trouble with 0.2.0 should update to 0.2.1.
http://kaimen.kuicr.kyoto-u.ac.jp/archive/er-solvation
Also, experimental version of ermod, version 0.3.alpha1, is released. This is in "alpha" stage and provided only for testing purpose (or for those who would like to develop methodology).
Archive can be obtained under:
http://kaimen.kuicr.kyoto-u.ac.jp/archive/er-solvation/ermod-0.3(experimental)
The list of new features is as follows.
New features:
* Supported AMBER input (very experimental). New tools are stored under tools/AMBER.
Users must provide NetCDF trajectory - see AMBER manual for how to generate binary trajectory file.
Also, users must change file extension to ".nc", and make (or copy) netcdfplugin.so manually.
* Support script to separate residues in protein is under development at tools/mol_dissect.
* Added experimental insertion scheme - weighted insertion around best-fit structure AND overall system.
This insertion scheme may work for ligand binding.
Thank you very much for feedback!
--
Shun SAKURABA, Ph.D.
Postdoc @ Prof. Matubayasi's Lab in KUICR, Kyoto Univ