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FACIO processes 2.2

FACIO processes
Category: Business & Productivity Tools / Other Related Tools  
Author: PDQM | Published: Oct 19, 2012
License: Freeware | O/S: Windows
Uninstaller: no

Facio is an OpenGL-based 3D-graphics program for molecular modeling and visualization of quantum chemical calculations (GAMESS and Gaussian). SSH / SFTP client is also implemented. Through SSH / SFTP connection, Gaussian job can be submitted to batch job system on the remote server and calculation results can be retrieved form the server. Supported batch job systems are LoadLeveler and NQS. Since Facio internally uses PDB (Protein Data Bank) format, it can also display a 3D-structure of biological macromolecules, such as proteins and nucleic acid with emphasizing their secondary or quaternary structures. 1. Molecular Modeling Features Modeling is simple. Replacing a hydrogen with CH3, CH2, CH, Phenyl, OH, Formyl, NH2 and Glycosyl, molecular model is assembled. Besides ordinary functions required for molecular modeling, Facio featues the following functions. Geometry Optimization with PC GAMESS or WinGamess Rendezvous and Docking of Two Molecules Two molecular files (in PDB format) can be successively loaded. And the relative position of the latter molecule can be adjusted. Any two bonds of each two molecule can be aligned. Two hydrogen atoms are deleted. Making a bond. Group can be moved along the bond. With Facio, you can make a model of a large and complex molecule, such as Ciguatoxin, a marine natural product.Ciguatoxin 2. Visualization of Quantum Chemical Calculations Facio can visualize CUBE Molecular Orbital data of PC GAMESS and Gaussian. Facio reads GAMESS punch file or Gaussian output file for normal mode of vibration to display it as an animation ,which is more animated than those shown here. 3. Viewing Biological Macromolecule Facio's native molecular structure format is PDB (Protein Data Bank). Thus, protein or nucleic acid data in PDB format is loadable to Facio. In the former version, Facio sometimes collapsed with fatal exception. This fatal bug has been fixed for the latest version. However, there still exist PDB files that Facio cannot parse.

FACIO processes Related Tags: Data Management - Enterprise System Development - Process Automation - Workflow Management
File Size: 24.5 MB   Price: $0.00   Downloads: 0
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FACIO processes also mentioned on ShareMe

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... This software offers a solution to users who want to end (kill) multiple processes at once. The software displays the processes running on the system and the user can check or uncheck them as required. There are also options to select all processes containing (or not containing) a user specified string of character/s. Then, with one click the chosen processes will all be ended at once. ...
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