CcpNmr ChemBuild

CcpNmr ChemBuild is a graphical tool to construct chemical compound definitions for NMR. While there are many chemical structure drawing packages available ChemBuild was especially created to handle concepts like protonation variants and magnetic equivalence which are required for NMR resonance assignment. Several different chemical file formats are supported, including PDB, .mol and .mol2, but ChemBuild is special in its ability read and write CCPN chemical component XML files, which store NMR-aware information.

Versions

Technical Notes

The currently available version is a beta test release and bug reports are welcome. Bug reports should be made via the CCPNMR mailing list at JISC.

License Type

This software is distributed under an Open license.

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