| |
|
|
Data Record Format
Each of the following sections in this document consists of a description of the fields within the data record, a detailed description of the data record, and some examples of data records. Mol2 files are written out in a free format to avoid the restrictions created by fixed format files.
- @<TRIPOS>ALT_TYPE
- @<TRIPOS>ANCHOR_ATOM
- @<TRIPOS>ASSOCIATED_ANNOTATION
- @<TRIPOS>ATOM
- @<TRIPOS>BOND
- @<TRIPOS>CENTER_OF_MASS
- @<TRIPOS>CENTROID
- @<TRIPOS>COMMENT
- @<TRIPOS>CRYSIN
- @<TRIPOS>DICT
- @<TRIPOS>DATA_FILE
- @<TRIPOS>EXTENSION_POINT
- @<TRIPOS>FF_PBC
- @<TRIPOS>FFCON_ANGLE
- @<TRIPOS>FFCON_DIST
- @<TRIPOS>FFCON_MULTI
- @<TRIPOS>FFCON_RANGE
- @<TRIPOS>FFCON_TORSION
- @<TRIPOS>LINE
- @<TRIPOS>LSPLANE
- @<TRIPOS>MOLECULE
- @<TRIPOS>NORMAL
- @<TRIPOS>QSAR_ALIGN_RULE
- @<TRIPOS>RING_CLOSURE
- @<TRIPOS>ROTATABLE_BOND
- @<TRIPOS>SEARCH_DIST
- @<TRIPOS>SEARCH_OPTIONS
- @<TRIPOS>SET
- @<TRIPOS>SUBSTRUCTURE
- @<TRIPOS>U_FEAT
- @<TRIPOS>UNITY_ATOM_ATTR
- @<TRIPOS>UNITY_BOND_ATTR
 Tripos, Inc. http://www.tripos.com |
| |
|
|