Editing Chemistry
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|CheMPS2 | |CheMPS2 | ||
|Spin-adapted implementation of DMRG for ab initio quantum chemistry | |Spin-adapted implementation of DMRG for ab initio quantum chemistry | ||
− | |[[ | + | |[[https://svnweb.freebsd.org/ports/head/science/chemps2/pkg-descr?revision=HEAD]] [[https://github.com/SebWouters/CheMPS2]] |
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|Jmol | |Jmol | ||
|Java 3D viewer for chemical structures | |Java 3D viewer for chemical structures | ||
− | |[[ | + | |[[https://svnweb.freebsd.org/ports/head/science/jmol/pkg-descr?revision=HEAD]] [[https://sourceforge.net/projects/jmol/]] |
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|MolScript | |MolScript | ||
|Display 3D molecules in schematic and detailed representations | |Display 3D molecules in schematic and detailed representations | ||
− | |[[ | + | |[[https://svnweb.freebsd.org/ports/head/science/molscript/pkg-descr?revision=HEAD]] [[http://avatar.se/molscript/molscript.html]] |
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|atom-chemistry | |atom-chemistry | ||
|Program for DFT calculations in atoms | |Program for DFT calculations in atoms | ||
− | |[[ | + | |[[https://svnweb.freebsd.org/ports/head/science/atom/pkg-descr?revision=HEAD]] [[https://departments.icmab.es/leem/siesta/]] |
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|avogadro2 | |avogadro2 | ||
|Chemical editor and visualization application | |Chemical editor and visualization application | ||
− | |[[ | + | |[[https://svnweb.freebsd.org/ports/head/science/avogadro2/pkg-descr?revision=HEAD]] [[https://www.openchemistry.org/projects/avogadro2/]] |
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|avogadrolibs | |avogadrolibs | ||
|Avogadro2 libraries for chemical editor and visualization applications | |Avogadro2 libraries for chemical editor and visualization applications | ||
− | |[[ | + | |[[https://svnweb.freebsd.org/ports/head/science/avogadrolibs/pkg-descr?revision=HEAD]] [[https://www.openchemistry.org/projects/avogadro2/]] |
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|cdk-chemistry | |cdk-chemistry |