Miguel wrote:
Q: Jan, are you sure that calculated hbonds are being generated? I do
not think so.
yes, in ..52 I load 1PPA
connect delete single
# there are hbonds (not defined in CONECT e.g. 289 317)
connect delete hbonds
# did *not* remove *all* these hbonds!
Jan,
I have reproduced the problems with 1PPA. I am puzzled. I will investigate.
a hint may be, there is no secondary structure defined in 1ppa if I inserted
TURN 1 T1 SER 1 SER 1 The dummy structure
into 1ppa.pdb
no 'hbonds' where shown.
Regards, Jan
Regards, Jan
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