Download Shareware and Freeware Software for Windows, Linux, Macintosh, PDA

line Home  |  About Us  |  Link To Us  |  FAQ  |  Contact

Serving Software Downloads in 976 Categories, Downloaded 32.389.864 Times

cclib 0.7

  Date Added: June 01, 2010  |  Visits: 556

cclib

Report Broken Link
Printer Friendly Version


Product Homepage
Download (72 downloads)



cclib is a Python library for parsing and interpreting the results of computational chemistry packages. Among other data, cclib extracts coordinates, atomic orbital information, molecular orbital information, information on vibrational modes, and the results of a TD-DFT calculation. cclib also provides some calculation methods for interpreting some electronic properties of molecules using analyses such as Mulliken population analysis, overlap population analysis, and calculation of Mayers bond orders..

Requirements: No special requirements
Platforms: Linux
Keyword: Cclib Chemistry Computational Chemistry Interpreting Libraries Parsing Programming Python Python Library Results
Users rating: 0/10

License: Freeware Size: 3.3 MB
USER REVIEWS
More Reviews or Write Review


CCLIB RELATED
Science  -  Avogadro 0.1.0
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. This project offers a flexible rendering engine and a powerful plugin...
256 KB  
Scientific and Engineering  -  Gabedit 40107
Gabedit is a Graphical User Interface to Gamess-US, Gaussian, Molcas, Molpro, MPQC and Q-Chem computational chemistry packages.Gabedit includes graphical facilities for generating keywords and options, molecule specifications and their input...
 
Libraries  -  Pii - Functional Programming for Python 0.7
Functional Programming for Python. Provides a small mixin to provide 1) type constraints for named tuples 2) pre/postcondition typechecking for functions 3) syntactical sugar to make your code look pretty (accomplished through a PEP 302 import hook)
5.75 KB  
Audio Tools  -  The Chemistry Development Kit for Linux 1.2.9
The Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java.
15.31 MB  
Multimedia & Graphics  -  The Chemistry Development Kit 1.4.9
The Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java.
16.01 MB  
Utilities  -  Vigyaan 1.0
Vigyaan is an electronic workbench for bioinformatics, computational biology and computational chemistry. It has been designed to meet the needs of both beginners and experts. VigyaanCD is a live Linux CD containing all the required software to...
638 MB  
Science  -  ccwatcher rc
ccwatcher monitors the progress of computational chemistry calculations during runtime. It has both a GUI and a 'Command Line Interface' to which it parses important output and plots SCF energies. Avogadro plugin capability is planned.
144.23 KB  
Science  -  PerlMol 0.47
PerlMol is a collection of Perl modules for chemoinformatics and computational chemistry with the philosophy that 'simple things should be simple'. It should be possible to write one-liners that use this toolkit to do meaningful 'molecular munging'.
11.76 KB  
Science  -  The CCP1GUI 0.8
The CCP1GUI project aims to develop a free, extensible Graphical User Interface to various computational chemistry codes developed by the worldwide academic community, with an emphasis on ab initio Quantum Chemistry codes.
3.37 MB  
Science  -  Viewmol 1.0
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.
551.24 KB  
NEW DOWNLOADS IN PROGRAMMING, LIBRARIES
Programming  -  Cedalion for Linux 0.2.6
Cedalion is a programming language that allows its users to add new abstractions and define (and use) internal DSLs. Its innovation is in the fact that it uses projectional editing to allow the new abstractions to have no syntactic limitations.
471.04 KB  
Programming  -  Math::GMPf 0.29
Math::GMPf - perl interface to the GMP library's floating point (mpf) functions.
30.72 KB  
Programming  -  Net::Wire10 1.08
Net::Wire10 is a Pure Perl connector that talks to Sphinx, MySQL and Drizzle servers. Net::Wire10 implements the low-level network protocol, alias the MySQL wire protocol version 10, necessary for talking to one of the aforementioned...
30.72 KB  
Programming  -  logilab-common 0.56.2
a bunch of modules providing low level functionnalities shared among some python projects devel Please note that some of the modules have some extra dependencies. For instance, logilab.common.db will require a db-api 2.0 compliant...
174.08 KB  
Programming  -  OpenSSL for linux 1.0.0a
The OpenSSL Project is a collaborative effort to develop a robust, commercial-grade, full-featured, and Open Source toolkit implementing the Secure Sockets Layer (SSL v2/v3) and Transport Layer Security (TLS v1) protocols as well as a...
3.83 MB  
Libraries  -  wolfSSL 3.15.3
The wolfSSL embedded SSL/TLS library is a lightweight SSL library written in ANSI standard C and targeted for embedded and RTOS environments - primarily because of its small size, speed, and feature set. It is commonly used in standard operating...
3.88 MB  
Libraries  -  EuGTK 4.8.9
Makes it easy to develop good- looking, fast, cross-platform programs that run on Linux, OS X, and Windows. Euphoria is a very fast interpreted/compiled language with straight-forward syntax. EuGTK allows programming in a clean, object-oriented...
10.68 MB  
Libraries  -  Linux User Group Library Manager 1.0
The LUG Library Manager is a project to help Linux User Groups start their own library. A LUG library is helpful to the community at large because it increases access to information, and gives everyone the opportunity to become more knowledgeable.
5.35 KB  
Libraries  -  Module::MakefilePL::Parse 0.12
Module::MakefilePL::Parse is a Perl module to parse required modules from Makefile.PL. SYNOPSIS use Module::MakefilePL::Parse; open $fh, Makefile.PL; $parser = Module::MakefilePL::Parse->new( join("", ) ); $info = $parser->required;...
8.19 KB  
Libraries  -  sqlpp 0.06
sqlpp Perl package is a SQL preprocessor. sqlpp is a conventional cpp-alike preprocessor taught to understand SQL ( PgSQL, in particular) syntax specificities. In addition to the standard #define/#ifdef/#else/#endif cohort, provides also...
10.24 KB