Update shape-it and align-it #structure_align #chemoinformatics #OpenBabel3

Shape and Pharmacophore based molecular alignment methods are often used not only SBDD but also LBDD projects. ROCS is one of the major tool to do it but it’s commercial package for none academia. Shape-it and Align-it which are provided from silicos-it are very useful open source packages for molecular alignments. I posted about shape-itContinue reading “Update shape-it and align-it #structure_align #chemoinformatics #OpenBabel3”