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Search results for "ITUB"

mok - an awk for molecules River stage zero No dependents

The purpose of mok is to read all the molecules found in the files that are given in the command line, and for each molecule execute the CODE that is given. The CODE is given in Perl and it has at its disposal all of the methods of the PerlMol toolki...

ITUB/Chemistry-Mok-0.25 - 16 May 2005 21:55:57 UTC - Search in distribution

pflow - command line utility for printing the call graph of a fortran program River stage zero No dependents

This is a simplified Perl version of the FLOW program <http://www.netlib.org/floppy/contents.html#link13>. It takes Fortran 77 source code and prints a call graph. The output looks something like this: MAIN EXTSUB * 1 SUB1 SUB11 SUB12 SUB2 SUB1 (1) S...

ITUB/CallGraph-0.55 - 07 May 2004 20:09:54 UTC - Search in distribution

annopod - a perldoc with annotations River stage zero No dependents

The "annopod" program works exactly the same as perldoc, except that it looks for a local annotation database and inserts the annotations just before rendering the POD. It works by using a local note database that can be downloaded from http://annocp...

ITUB/AnnoCPAN-Perldoc-0.10 - 22 Jul 2005 02:43:17 UTC - Search in distribution

AnnoCPAN - Annotated CPAN documentation River stage zero No dependents

Background Let's start by listing some of the resources at the disposal of the Perl community. * CPAN is a wonderful archive and distribution system for Perl modules. * search.cpan.org is a very nice web interface for searching and browsing the CPAN ...

ITUB/AnnoCPAN-0.22 - 02 Aug 2005 04:33:32 UTC - Search in distribution

podindex - build index from pods River stage zero No dependents

This is a simple wrapper script around Pod::Index::Builder. It parses the POD files given as arguments, finds all X<> entries, generates an index and prints it to standard output....

ITUB/Pod-Index-0.14 - 16 Oct 2005 00:29:18 UTC - Search in distribution

PerlMol - Perl modules for molecular chemistry River stage zero No dependents

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". ...

ITUB/PerlMol-0.3500 - 24 May 2005 23:19:23 UTC - Search in distribution

Chemistry::Mol - Molecule object toolkit River stage two • 21 direct dependents • 21 total dependents

This package, along with Chemistry::Atom and Chemistry::Bond, includes basic objects and methods to describe molecules. The core methods try not to enforce a particular convention. This means that only a minimal set of attributes is provided by defau...

MERKYS/Chemistry-Mol-0.39 - 13 Jul 2022 08:36:38 UTC - Search in distribution

Pod::HtmlEasy - Generate personalized HTML from PODs. River stage one • 1 direct dependent • 1 total dependent

The purpose of this module is to generate HTML data from POD in a easy and personalized mode. By default the HTML generated is similar to the CPAN site style for module documentation....

GLEACH/Pod-HtmlEasy-v1.1.11a - 23 Aug 2014 02:12:52 UTC - Search in distribution

Fortran::Format - Read and write data according to a standard Fortran 77 FORMAT River stage zero No dependents

This is a Perl implementation of the Fortran 77 formatted input/output facility. One possible use is for producing input files for old Fortran programs, making sure that their column-oriented records are rigorously correct. Fortran formats may also h...

ITUB/Fortran-Format-0.90 - 16 Sep 2005 22:43:01 UTC - Search in distribution

IO::All::LWP - IO::All interface to LWP River stage one • 4 direct dependents • 5 total dependents

This module acts as glue between IO::All and LWP, so that files can be read and written through the network using the convenient <IO:All> interface. Note that this module is not "use"d directly: you just use IO::All, which knows when to autoload IO::...

ITUB/IO-All-LWP-0.14 - 29 Mar 2007 07:34:08 UTC - Search in distribution

Test::Spelling - Check for spelling errors in POD files River stage two • 27 direct dependents • 60 total dependents

Test::Spelling lets you check the spelling of a "POD" file, and report its results in standard Test::More fashion. This module requires a spellcheck program such as Hunspell <http://hunspell.github.io/>, aspell, spell, or, ispell. We suggest using Hu...

CAPOEIRAB/Test-Spelling-0.25 - 29 May 2019 01:12:24 UTC - Search in distribution

Chemistry::Pattern - Chemical substructure pattern matching River stage one • 6 direct dependents • 6 total dependents

This module implements basic pattern matching for molecules. The Chemistry::Pattern class is a subclass of Chemistry::Mol, so patterns have all the properties of molecules and can come from reading the same file formats. Of course there are certain f...

ITUB/Chemistry-Pattern-0.27 - 10 May 2009 21:00:10 UTC - Search in distribution

Chemistry::Reaction - Explicit chemical reactions River stage zero No dependents

This package, along with Chemistry::Pattern, provides an implementation of explicit chemical reactions. An explicit chemical reaction is a representation of the transformation that takes place in a given chemical reaction. In an explicit chemical rea...

ITUB/Chemistry-Reaction-0.02 - 26 Sep 2004 19:20:27 UTC - Search in distribution

Chemistry::Smiles - SMILES parser (deprecated) River stage zero No dependents

NOTE: THIS MODULE IS DEPRECATED! Use Chemistry::File::SMILES instead. This object-oriented module parses a SMILES (Simplified Molecular Input Line Entry Specification) string. It can either return the molecule as a Chemistry::Mol object or be used vi...

ITUB/Chemistry-Smiles-0.13 - 27 Feb 2004 23:47:08 UTC - Search in distribution

Chemistry::Ring - Represent a ring as a substructure of a molecule River stage one • 4 direct dependents • 7 total dependents

This module provides some basic methods for representing a ring. A ring is a subclass of molecule, because it has atoms and bonds. Besides that, it has some useful geometric methods for finding the centroid and the ring plane, and methods for aromati...

MERKYS/Chemistry-Ring-0.21 - 16 Dec 2022 08:35:04 UTC - Search in distribution

Chemistry::MidasPattern - Select atoms in macromolecules River stage zero No dependents

This module partially implements a pattern matching engine for selecting atoms in macromolecules by using Midas/Chimera patterns. See <http://www.cmpharm.ucsf.edu/~troyer/troff2html/midas/Midas-uh-3.html#sh -2.1> for a detailed description of this la...

ITUB/Chemistry-MidasPattern-0.11 - 16 May 2005 23:06:55 UTC - Search in distribution

Chemistry::File::PDB - Protein Data Bank file format reader/writer River stage one • 1 direct dependent • 1 total dependent

This module reads and writes PDB files. The PDB file format is commonly used to describe proteins, particularly those stored in the Protein Data Bank (<http://www.rcsb.org/pdb/>). The current version of this module only reads the following record typ...

ITUB/Chemistry-File-PDB-0.23 - 10 May 2009 21:58:55 UTC - Search in distribution

Chemistry::File::SLN - SLN linear notation parser/writer River stage zero No dependents

This module parses a SLN (Sybyl Line Notation) string. This is a File I/O driver for the PerlMol project. <http://www.perlmol.org/>. It registers the 'sln' format with Chemistry::Mol, and recognizes filenames ending in '.sln'. Optional attributes for...

ITUB/Chemistry-File-SLN-0.11 - 29 Mar 2005 16:42:04 UTC - Search in distribution

Chemistry::Domain - Class for domains in macromolecules River stage one • 2 direct dependents • 2 total dependents

A domain is a substructure of a larger molecule. It is typically used to represent aminoacid residues within a protein, or bases within a nucleic acid, but you could use it for any arbitrary substructure such as functional groups and rings. A domain ...

ITUB/Chemistry-MacroMol-0.06 - 03 Jul 2004 19:22:04 UTC - Search in distribution

Chemistry::File::MDLMol - MDL molfile reader/writer River stage zero No dependents

MDL Molfile (V2000) reader/writer. This module automatically registers the 'mdl' format with Chemistry::Mol. The first three lines of the molfile are stored as $mol->name, $mol->attr("mdlmol/line2"), and $mol->attr("mdlmol/comment"). This version onl...

MERKYS/Chemistry-File-MDLMol-0.24 - 03 Feb 2022 16:09:12 UTC - Search in distribution
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