Molfile
Term · Chemistry · MLC-T-CHM-007529
A text file holding the connection table of one molecule, listing its atoms with element types and coordinates in two or three dimensions, and its bonds with their orders. The MDL molfile is the best known, alongside the Tripos MOL2 and CSSR formats, and it lets structure data pass between drawing programs, modelling packages and databases. Atom and bond counts sit in a fixed-format header line.
| Identifier | MLC-T-CHM-007529 |
|---|---|
| Field | Chemistry |
| Subject | Chemistry and Human Health |
| References | PAC, 1997, 69, 1137. 'Glossary of terms used in computational drug design (IUPAC Recommendations 1997)' on page 1147 (https://doi.org/10.1351/pac199769051137) |
| See also | MOL file format; Connectivity |
Record as JSON
{
"id": "MLC-T-CHM-007529",
"term": "Molfile",
"field": "Chemistry",
"definition": "A text file holding the connection table of one molecule, listing its atoms with element types and coordinates in two or three dimensions, and its bonds with their orders. The MDL molfile is the best known, alongside the Tripos MOL2 and CSSR formats, and it lets structure data pass between drawing programs, modelling packages and databases. Atom and bond counts sit in a fixed-format header line.",
"subject": "Chemistry and Human Health",
"see_also": [
"MOL file format",
"connectivity"
],
"references": [
"PAC, 1997, 69, 1137. 'Glossary of terms used in computational drug design (IUPAC Recommendations 1997)' on page 1147 (https://doi.org/10.1351/pac199769051137)"
],
"url": "https://mlchart.com/terminology/chemistry/molfile/"
}
Record 7,987 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.