| 1 | {"name":"checkmol","origin":"science/checkmol","version":"0.5_2","comment":"Analyze·molecules·for·the·presence·of·functional·groups","maintainer":"ports@FreeBSD.org","www":"http://merian.pch.univie.ac.at/~nhaider/cheminf/cmmm.html","abi":"FreeBSD:11:amd64","arch":"freebsd:11:x86:64","prefix":"/usr/local","flatsize":759693,"licenselogic":"single","licenses":["GPLv2+"],"desc":"Checkmol·is·a·command-line·utility·program·which·reads·molecular\nstructure·files·in·different·formats·and·analyzes·the·input\nmolecule·for·the·presence·of·various·functional·groups·and·structural\nelements.·At·present,·approx.·200·different·functional·groups·are\nrecognized.·This·output·can·be·easily·placed·into·a·database·table,\npermitting·the·creation·of·chemical·databases·with·a·functional·group\nsearch·option.·Checkmol·also·outputs·a·set·of·statistical·values·derived\nfrom·a·given·molecule,·which·can·also·be·used·for·quick·retrieval·from·a\ndatabase.·These·values·include:·the·number·of·atoms,·bonds,·and·rings,\nthe·number·of·differe·✂ | 1 | {"name":"checkmol","origin":"science/checkmol","version":"0.5_2","comment":"Analyze·molecules·for·the·presence·of·functional·groups","maintainer":"ports@FreeBSD.org","www":"http://merian.pch.univie.ac.at/~nhaider/cheminf/cmmm.html","abi":"FreeBSD:11:amd64","arch":"freebsd:11:x86:64","prefix":"/usr/local","flatsize":759693,"licenselogic":"single","licenses":["GPLv2+"],"desc":"Checkmol·is·a·command-line·utility·program·which·reads·molecular\nstructure·files·in·different·formats·and·analyzes·the·input\nmolecule·for·the·presence·of·various·functional·groups·and·structural\nelements.·At·present,·approx.·200·different·functional·groups·are\nrecognized.·This·output·can·be·easily·placed·into·a·database·table,\npermitting·the·creation·of·chemical·databases·with·a·functional·group\nsearch·option.·Checkmol·also·outputs·a·set·of·statistical·values·derived\nfrom·a·given·molecule,·which·can·also·be·used·for·quick·retrieval·from·a\ndatabase.·These·values·include:·the·number·of·atoms,·bonds,·and·rings,\nthe·number·of·differe·✂ |