| struct Bmolecule {
|
| Bmolecule* next; | // Next molecule in linked list
|
| int num; | // Molecule number
|
| Bstring id; | // Molecule identifier
|
| unsigned long nres; | // Number of residues
|
| unsigned long nbase; | // Number of bases
|
| unsigned long first_codon; | // First amino acid codon in NA sequence
|
| Bstring seq; | // Protein sequence
|
| Bstring naseq; | // Nucleic acid sequence
|
| Vector3 min; | // Coordinate minima
|
| Vector3 max; | // Coordinate maxima
|
| float Bmin,Bmax; | // B-factor statistics
|
| float Bave,Bstd;
| |
| int sel; | // Selection flag
|
| float fom; | // Figure-of-merit for molecule
|
| Bresidue* res; | // First residue in molecule
|
| Bsecondary* sec; | // Secondary structure
|
| } ;
| |