[sharp-discuss] Cannot read iron sulfur cluster info in sphcluster file
Thomas.Barends at mpimf-heidelberg.mpg.de
Fri Jan 15 10:43:51 CET 2016
I have a protein with several iron sulfur clusters, which are easily
found by autoSHARP. From those sites I then made a SIN file placing an
F4eS4 cluster at each site. However, when I then start it, I quickly get
the following error message:
***SHARP-ERR-0001: LOOK_SPHCLUSTER: No library info for TAG =
However, the sphcluster file in /home/sharp/database ends with this:
# Fe4S4:Fe is the iron part of Fe4S4 Fe4S4:Fe 4 1.66 1.66 1.66 1.66 #
Fe4S4:S is the sulfur part of Fe4S4 Fe4S4:S 4 2.21 2.21 2.21 2.21
Can anyone tell me what I am doing wrong?
Thanks very much,
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