[gmx-developers] editconf & cryst record in pdb files

[Martin Höfling]

Hi developers,

editconf of cvs version doesnt produce an CRYST record in pdb header, is this 
desired behavior or a bug?

editconf -f input.pdb -box 10 10 10 -c -o input-3.3.pdb
. ~/local/gmx4env
editconf -f input.pdb -box 10 10 10 -c -o input-cvs.pdb

input-3.3.pdb:

TITLE     Go Rough, Oppose Many Angry Chinese Serial killers
REMARK    THIS IS A SIMULATION BOX
CRYST1  100.000  100.000  100.000  90.00  90.00  90.00 P 1           1
MODEL        1
...

input-cvs.pdb
TITLE     Good gRace! Old Maple Actually Chews Slate
MODEL        1
...

If you consider this as bug, I can submit a bugzilla of course.

Best
	Martin
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