Without aim to provide an exhaustive description, the following examples may Point to consider are the graphic formats these programs offer for file I/O. You want to share/collaborate with colleagues intermediate files, an additional Tasks vary in their coverage of of lab ware to prepare such illustrations andįocus on drawing molecules, exporting molecules in machine readable (chemical)įormats understood e.g., by databases, and performing some computations (e.g.,Īveraged molecular and isotopic weight). Molekel uses VTK and Qwt and therefore as well Qt.The short answer to this topic is that the typically used programs for this In 2006, the Swiss National Supercomputing Centre (CSCS) restarted the project and version 5.0 was released on 21 December 2006. Further developments lead to version 4.3, before Stefan Portmann moved on and ceased to develop the codes. ![]() Version 4.0 was a nearly platform independent version. In 1998, Stefan Portmann took over responsibility and released Version 3.0. Flükiger in the 1990s for Silicon Graphics Computers. It was originally developed at the University of Geneva by Peter F. Molekel is a free software multiplatform molecular visualization program. Electron density plot of the norbornyl cation determined using DFT with a mapping of mulliken electrostatic potential- B3LYP/6-31G* in Gaussian03, picture drawn in molekel using Gaussian cube file Positive charge is colored blue in this picture.
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