dear sir
i need prepfile for all D-amino acid as i am working on
retroinverso-peptides
To generate prep file for example D-serine can i edit prep file of
serine by simply changing the sign of entries in column of 'angle' and
'dihedral angle' because there should be no other deffrrence
D-SERINE
DSE INT 1
CORR OMIT DU BEG
0.00000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.000 0.00000
2 DUMM DU M 1 0 -1 1.449 0.000 0.000 0.00000
3 DUMM DU M 2 1 0 1.522 -111.100 0.000 0.00000
4 N N M 3 2 1 1.335 -116.600 -180.000 -0.41570
5 H H E 4 3 2 1.010 -119.800 0.000 0.27190
6 CA CT M 4 3 2 1.449 -121.900 -180.000 -0.02490
7 HA H1 E 6 4 3 1.090 -109.500 -300.000 0.08430
8 CB CT 3 6 4 3 1.525 -111.100 -60.000 0.21170
9 HB2 H1 E 8 6 4 1.090 -109.500 -300.000 0.03520
10 HB3 H1 E 8 6 4 1.090 -109.500 -60.000 0.03520
11 OG OH S 8 6 4 1.430 -109.470 -180.000 -0.65460
12 HG HO E 11 8 6 0.960 -109.470 -180.000 0.42750
13 C C M 6 4 3 1.522 -111.100 -180.000 0.59730
14 O O E 13 6 4 1.229 -120.500 0.000 -0.56790
IMPROPER
-M CA N H
CA +M C O
DONE
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Received on Sun Jan 23 2005 - 14:53:00 PST
