All AMBER users:
Now I have a protein which contains one non-standard residue "CME".
But there is no parameter in AMBER7 or AMBER8. Although the CME atoms
are indicated as hetero atoms by "HETATM", the residue CME connect with
other standard residues. For example:
ATOM 251 O THR A 193 -4.451 13.561 10.631 O
ATOM 252 CB THR A 193 -3.183 16.320 9.115 C
ATOM 253 OG1 THR A 193 -1.928 16.821 8.633 O
ATOM 254 CG2 THR A 193 -3.307 16.825 10.598 C
HETATM 255 N CME A 194 -5.628 14.444 9.024 N
HETATM 256 CA CME A 194 -6.937 13.873 9.179 C
HETATM 257 CB CME A 194 -8.004 14.140 8.141 C
HETATM 258 SG CME A 194 -9.536 13.697 8.934 S
HETATM 259 SD CME A 194 -9.892 14.927 10.558 S
HETATM 260 CE CME A 194 -10.809 14.171 11.870 C
HETATM 261 CZ CME A 194 -10.005 13.101 12.561 C
HETATM 262 OH CME A 194 -10.545 12.502 13.488 O
HETATM 263 C CME A 194 -6.856 12.436 9.638 C
HETATM 264 O CME A 194 -6.870 12.150 10.820 O
ATOM 265 N ILE A 195 -6.433 11.576 8.699 N
ATOM 266 CA ILE A 195 -6.311 10.129 8.990 C
ATOM 267 C ILE A 195 -5.295 9.629 10.047 C
ATOM 268 O ILE A 195 -5.576 8.680 10.762 O
How do I add the parameters of CME?
Thanks!
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Received on Mon Apr 25 2005 - 09:53:00 PDT
