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molspaces.com

MOLspaces

Molecular Spaces. A site on molecular similarity, protein alignment, and computational chemistry, and the home of the cb2Bib bibliographic tool.

http://www.molspaces.com/

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MOLspaces | molspaces.com Reviews
<META>
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Molecular Spaces. A site on molecular similarity, protein alignment, and computational chemistry, and the home of the cb2Bib bibliographic tool.
<META>
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1 atomic
2 shell
3 approximation
4 molecular
5 similarity
6 electron
7 density
8 protein
9 alignment
10 cb2bib
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personal,anir,lsim,cb2bib,downloads,site map,links,welcome,all rights reserved
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MOLspaces | molspaces.com Reviews

https://molspaces.com

Molecular Spaces. A site on molecular similarity, protein alignment, and computational chemistry, and the home of the cb2Bib bibliographic tool.

INTERNAL PAGES

molspaces.com molspaces.com
1

Anir - Analytical NIR

http://www.molspaces.com/d_anir-overview.php

ANIR flourishes at the junction of farmers' needs for a simple setup of analytical infrastructures and advanced computational chemistry in the majestic mountains of the Pyrenees. ANIR is a powerful application focusing on solving the entire NIR process chain. It calibrates raw input data, facilitates spectra acquisition, organizes analytical results, and provides customized production reports for small and large businesses. Consulting and Customized Software Solutions. Report generation of analytical data.

2

LSim Overview - Linear Scaling Molecular Similarity

http://www.molspaces.com/d_lsim-overview.php

Superposes macromolecular electron densities and computes a structural similarity score. LSim. With the size of the molecules being compared. Alignments are conceptually unrelated to biochemical structural elements and, therefore, are unbiased and appropriate for structure-only protein similarity studies. Since February 14, 2001. Last modified: July 2016.

3

Pere Constans - MOLspaces

http://www.molspaces.com/d_personal.php

Pere Constans, Ph. D. Mount Sinai School of Medicine. The Scripps Research Institute. Department of Molecular Biology. Institute of Computational Chemistry. Ph D, Chemistry, Unanimous. M S, Physical Chemistry. NIR data analysis and processing. Molecular and macromolecular similarity. Protein structure and function. Selected and Recent Publications. C Bozzo, N. Mur, P. Constans, and M. D. Pujol. Furo[3,4- b. Benzodioxin cycloadditions. A one-pot synthesis of functionalized bis-adducts. Collection of Czech...

4

MOLspaces Computation Links

http://www.molspaces.com/d_links.php

Graphics and Molecular Visualization. ABINIT - Electronic structure package. EMSL Basis Set Exchange. GAMESS - General Atomic and Molecular Electronic Structure System. Massively Parallel Quantum Chemistry Program. Molmovdb - Macromolecular Geometry. Open Babel - A Package to Decypher Computational Chemistry. PSI3 - An Ab Initio Quantum Chemistry Package. TINKER - Molecular Modeling Package. Graphics and Molecular Visualization. Avogadro - Cross-platform molecule editor. DISLIN - Scientific Data Plotting.

5

cb2Bib Overview

http://www.molspaces.com/d_cb2bib-overview.php

The cb2Bib is a free, open source, and multiplatform application for rapidly extracting unformatted, or unstandardized bibliographic references from email alerts, journal Web pages, and PDF files. See Release Note cb2Bib 1.9.0. Current version: cb2Bib 1.9.5. For a detailed list of changes and acknowledgments, and Release Notes. For additional notes and information.). Otherwise, if no predefined format pattern is found or if detection proves to be difficult, manual data extraction is greatly simplified by...

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