Search Results for "python molecular" - Page 6
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Showing 140 open source projects for "python molecular"
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BrennerMD is a public domain Fortran molecular dynamics program by Donald Brenner and other people. This project is to maintain the original source code and to build a Python interface on top of it.
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pyVib is a Python-based molecular graphics visualizer. It allows visualizing vibrational modes (from latest gaussian fchk files), the related IR/VCD/Raman/ROA spectra, the GCM's (group coupling matrices) and ACP's (atomic contribution patterns).
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Esra is a 100% pure java library for the interactive analysis of molecular mechanics data. Mangles your data in your favorite scripting language.
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PyMOlyze is a graphical program to analyze the results of quantum chemistry (HF/DFT) calculations. Features include various population analyses, fragment analysis, monitoring structures during an optimization, and a simple, but powerful, XYZ editor.
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Cellogica is a cellular logic analysis tool. It incorporates sequential logic and finite state machine to elucidate the relationship between transcription factors and corresponding gene expression.
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A repository of Python extension scripts for use with the Sparky (http://www.cgl.ucsf.edu/home/sparky) NMR assignment package. No packaged releases yet, but there are scripts in the Sourceforge CVS@ http://sparkyscripts.cvs.sourceforge.net/sparkyscripts
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openSputnik is a robust distributed platform for massive scale precalculation of genetic and genomic data using contemporary bioinformatics methods. Annotated DNA, RNA and protein sequences are stored as binary objects in a variery of relational database
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ScientificIcons is a central repository of icons for scientific programs, including molecular biology, lab automation, sample tracking, chemistry, biology, physiology, etc. Looking for an icon for a flask, chemical, gene, plate, robot, atom?
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Viewmol is a graphical front end for computational chemistry programs. It is able to graphically aid in the generation of molecular structures for computations and to visualize their results.
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Rana, Restriction Analysis Libraries. Rana is written in Python and provides a set of libraries and scripts to work with restriction enzymes and ADN. The aim is to ease the development of molecular biology software for research or education purposes.
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ĄHola!, for "Hordes of Little Atoms," is a project to develop a lean, modular, scalable toolkit for massive simulations of particle (molecular) dynamics. It is written in C and Python to get the best balance between programmer and run time.
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MePrId is a Python program which can be used to classify a protein, depending whether it is a membrane or a globular protein. Download link: http://meprid.svn.sourceforge.net/viewvc/meprid.tar.gz?view=tar
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The NMR Restraints Grid (NRG at http://www.bmrb.wisc.edu/WebModule/MRGridServlet) contains the original NMR restraint data (distance, dihedral angle and RDC) and the parsed, converted, and filtered for ~4,000 protein and nucleic acid structures with corr
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A laboratory information management system (LIMS) geared towards academic research groups in the life sciences. Written in Python and using the Django framework, you run this software on your own server.
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This a python based Molecular simulator in the first stages of devlopment,right now the little simulator engine is capable of: viewing of .MOL files with rendering ,Analyses of bend length,Calculation of Energies
