placevent 1.3

Placevent solvent placement software

The details of the algorithm are described in:

Placevent: An algorithm for prediction of explicit solvent atom distribution – Application to HIV-1 protease and F-ATP synthase Daniel J. Sindhikara, Norio Yoshida, Fumio Hirata

Utilizes 3D-RISM output to place solvent or ions in highest likelihood locations. Matches well with experiment in test cases.

Typical usage often looks like this:

placevent.py mydxfile.dx 55.5 > O.pdb