套件：libchemistry-openbabel-perl（3.1.1+dfsg-11 以及其他的） [debports]
Chemical toolbox library (perl bindings)
Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows one to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Features include:
* Hydrogen addition and deletion * Support for Molecular Mechanics * Support for SMARTS molecular matching syntax * Automatic feature perception (rings, bonds, hybridization, aromaticity) * Flexible atom typer and perception of multiple bonds from atomic coordinates * Gasteiger-Marsili partial charge calculation
File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC.
This package contains Chemistry::Openbabel, the Perl binding for Open Babel.
其他與 libchemistry-openbabel-perl 有關的套件
|
|
|
|
-
- dep: libc6 (>= 2.38)
- GNU C 函式庫：共用函式庫
同時作為一個虛擬套件由這些套件填實： libc6-udeb
-
- dep: libgcc-s1 (>= 3.0)
- GCC 支援函式庫
-
- dep: libopenbabel7 (>= 3.1.1+dfsg)
- Chemical toolbox library
-
- dep: libperl5.40 (>= 5.40.0)
- shared Perl library
-
- dep: libstdc++6 (>= 13.1)
- GNU Standard C++ Library v3
-
- dep: perl (>= 5.40.0-6)
- Larry Wall's Practical Extraction and Report Language
-
- dep: perlapi-5.40.0
- 本虛擬套件由這些套件填實： perl-base