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[ccp4bb]: Protin



Hi,
I wonder if anyone has used PROTIN to impose standard
geometry on an unruly structure?
What is the correct syntax for a series of "SECO" commands,
all for a single polypeptide chain?

Here is what I have tried:
CHNNAM ID A CHNTYP 1
CHNTYP 1 NTER 9 PRO 3 CTER 193 HIS 2
CHNTYP 1 DISUL 1 103 128
CHNTYP 1 SECO 12 19 1 SECO 41 49 1 SECO 50 57 1 SECO 66 79 1 SECO 182 193 1 -
SECO 37 41 5 SECO 83 88 5 SECO 90 96 6 SECO 99 104 5 SECO 105 115 5 SECO 118 130 6 -
SECO 137 143 5 SECO 154 161 6 SECO 177 181 5
PEPP 4
SYMM 5
END

This provokes the following answer:
***** Warning - you seem to have too many chain TYPES to expect non crystallographic symmetry? ****

Everything else I tried just made PROTIN crash.

Thanks!
Anita
Anita Lewit-Bentley


LURE,
Centre Universitaire Paris-Sud
B.P. 34, 91898 ORSAY Cedex
France

tel. : (33) 1 64 46 80 50
FAX: (33) 1 64 46 41 48
e-mai: Anita.Bentley@lure.u-psud.fr