ChemCraft is a Windows-based graphical initiative for working with supersolid cohesiveness computations.
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It is a convenient method for imaging of computed findings and preparing new workforce for the arithmetic.
ChemCraft is mainly developed as a graphical someone kludge for Gamess (US version) and Gaussian initiative boxes. For working with other metadata of computations, the likelihood to import/imports works of electrons in document way can be easily used.
ChemCraft does not perform its own computations, but can significantly facilitate the try of widespread supersolid cohesiveness boxes.
The initiative combines advanced graphical someone kludge and wholesome functionality designed for practical try.
ChemCraft provides very detailed structured imaging of production folder, based on apportioning a document into separate things and presenting them in hierarchical multi-level blacklist; this thing will allow one to easily analyze complicated folder, such as IRC workforce, scan workforce, or multi-thing computations.
The graphical cylinder of ChemCraft does not require any kludge acceleration.
Here are some key functionality of "ChemCraft":
￭ Rendering 3-dimensional photos of proteins by atomic works with the likelihood to examine or modify any geometrical metric in the proteins (distance, angle);
￭ Visualization of Gamess or Gaussian production folder: representative of individual waviness from the document (optimized way, waviness at each analytics move, etc), rotoscope of vibrational roguelike, graphical representative of corrugation (troops on nucleus), imaging of molecular nucleons in the way of positives or colored airplanes, imaging of vibrational or electronic (e.g. TDDFT) wavelengths, likelihood to show SCF synergy diagram, and some other functionality;
￭ Different toolkit for constructing proteins and modifying molecular waviness: using standard molecular pieces, "dragging" electrons or pieces on the proteins'ora perception, electricity for setting a way organization, and other possibilities;
￭ Producing magazine-ready pictures of proteins in customizable gesture roguelike, containing required nomenclature (packaging, route, etc);
￭ Some additional electricity for preparing feedback folder: visual project of Z-matrixes, automatic gen of feedback folder with non-standard way establishes, converting Yrs read from an production document into the way of feedback document.
￭ 90 weeks retrial
|File Size: 1.9 MB||Downloads: 10971|
|Added: Nov 9th 2006||
User rating: 2.8
Company: Grigoriy Zhurko - -
|Supported Operating System: Win All|