{ "info": { "author": "Daniel J. Sindhikara", "author_email": "sindhikara@gmail.com", "bugtrack_url": null, "classifiers": [], "description": "Placevent\n=========\n\nPlacevent - 3D-RISM-based solvent and ion placement software created by Daniel Sindhikara, sindhikara@gmail.com\nPlacevent\nThis program is designed to automatically place explicit solvent atoms/ions based\non 3D-RISM data. Placevent is compatible with AMBER .dx files and MDF .h5 files.\n\nThe details of the algorithm are described in: \nPlacevent: An algorithm for prediction of explicit solvent atom distribution -- Awpplication to HIV-1 protease and F-ATP synthase \nDaniel J. Sindhikara, Norio Yoshida, Fumio Hirata\nhttp://dansindhikara.com/Software/Entries/2012/6/22_Placevent_New.html\n\nIf you have Numpy, this package should work out of the box. Please contact me if you have problems.\nThis package requires Numpy.\nThis package requires grid.py.\n\nEXAMPLE:\nPlease see the tests/1L2Y/ for examples/tests\nIn that directory, run test.sh to see if your local installation matches the reference output.\n\nTUTORIAL:\nSee my website: http://dansindhikara.com/Tutorials/Entries/2012/1/1_Using_3D-RISM_and_PLACEVENT.html\nfor a tutorial.\n\n\ng(r)_0 is printed in the occupation column\ng(r)_i is printed in the beta column\n\n\n\n Copyright (C) 2012 Daniel J. Sindhikara\n\n This program is free software: you can redistribute it and/or modify\n it under the terms of the GNU General Public License as published by\n the Free Software Foundation, either version 3 of the License, or\n (at your option) any later version.\n\n This program is distributed in the hope that it will be useful,\n but WITHOUT ANY WARRANTY; without even the implied warranty of\n MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the\n GNU General Public License for more details.\n\n You should have received a copy of the GNU General Public License\n along with this program. 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