PDB PTS - PDB - Put coordinates in SPIDER document file.

PURPOSE

Put coordinates from PDB file into a SPIDER document file.

USAGE

.OPERATION: PDB PTS

.INPUT FILE: aaa.pdb
[Enter the name of the PDB file with extension of pdb]

.OUTPUT FILE: COORD001

[Enter the name of the output SPIDER document file. The coordinates in output file are in Angstroms.]

NOTES

1. The terminal atoms are skipped.

2. The first three document file columns are coordinates.

3. The fourth column is IRES*10000.+VATOM. IRES and Vatom is residue and atom iD, repectively.

4. The fifth column is temperature factors.

5. The sixth column is NR2*1000.+ISEN*10.+occupancy,NR2 is sheet id, and isen is chain id1. occupancy is 1 or 0 to show atoms to be or missed in refinement.

6. The seventh column contains chain id2 followed NR2 number.

7. Implemented by Zhong Huang, Pawel A. Penczek.

SUBROUTINES

PDBPTS

CALLER

PDB