Preferred Label : molfile;
IUPAC definition : A molfile is a table containing atom type, connectivity and a more or less arbitrary
i 2D /i or i 3D /i information about a molecule. Well-known file formats include
the MOLfile used by MDL Information Systems Inc. ( i e.g /i ., in the database MACCS),
the MOL2 file used by Tripos Associates ( i e.g /i ., in the modeling package SYBYL),
or the CSSR format.;
Origin ID : MT06973;
Automatic exact mappings (from CISMeF team)
- See also
A molfile is a table containing atom type, connectivity and a more or less arbitrary
i 2D /i or i 3D /i information about a molecule. Well-known file formats include
the MOLfile used by MDL Information Systems Inc. ( i e.g /i ., in the database MACCS),
the MOL2 file used by Tripos Associates ( i e.g /i ., in the modeling package SYBYL),
or the CSSR format.
