The following files are available for downloading:
- MolShape application (
EXE-Datei, 267 KB)
MD5: C0E8A0DC3E7465D557EC58F45CF7AB6F - α-Cyclodextrin as a demo input file for MolShape (
ZIP file, 2.01 MB)
MD5: E431C087A701C5A671EEAA70DC713ECC - Example output file of the MolShape (
ZIP file, 54.3 KB)
MD5: C2761DD172075A070EF47DAB98926A86 - Example of a Gaussian03 calculation on α-cyclodextrin (
ZIP file, 1.93 MB)
MD5: C2FC4E071DE3F9295DA7556306D1CAC3 - PhD thesis (in German) with a detailed description of the MolShape algorithm (
PDF-Datei, 3.67 MB)
MD5: F55BA9552B50005C8B9387AB34E6F9C3
Additionally needed:
OR alternatively: