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1

Jmol

An interactive viewer for three-dimensional chemical structures.

... quantum chemistry programs. Files can be transferred directly from several databases, including RCSB, EDS, NCI, PubChem, and MaterialsProject. Multiple files can be loaded and compared. A rich scripting language and a well-developed web API allow easy customization of the user interface. Features include interactive animation and linear morphing. Jmol interfaces well with JSpecView for spectroscopy, JSME for 2D->3D conversion, POV-Ray for images, and CAD programs for 3D printing (VRML export).

36 Reviews

Downloads: 1,685 This Week

Last Update: 2024-10-16
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2

Pugsly PubChem Client

Command-line, PubChem PUG client, written in Python

Client to the PubChem Tool (PCT), The Power User Gateway (PUG). Written in Python and developed for use with Linux.

Downloads: 0 This Week

Last Update: 2014-12-01
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3

Pugsly

Command-line, PubChem PUG client, written in Python

Command-line, PubChem PUG client, written in Python; developed for Linux

Downloads: 0 This Week

Last Update: 2014-12-03
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4

metmask

Metmask has moved to github http://github.com/hredestig/metmask Metmask is a tool written in python for managing chemical identifiers for metabolomics experiments. It can incorporate identifiers from local textfiles, several online databases, query PubChem and record all found associations in a local sqlite database.

Downloads: 0 This Week

Last Update: 2017-04-13
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