Dear Jie,
Thanks for spotting this problem. I've made a fix for MrBUMP that should
address the problem. It will be included in the next CCP4 update which
will go out tomorrow (Tuesday 17th of December) all being well.
Best wishes,
Ronan
On 10/12/13 01:34, jie liu wrote:
Dear All
I just installed CCP4-6.4 and all the subsequent updates. Now MrBump
failed
with the following error message:
The program run with command: /usr/local/ccp4-6.4.0/bin/ccp4-python -u
/usr/local/ccp4-6.4.0/bin/mrbump HKLIN
/home/jie/Structures/local/se-p26c8newn6/ccp4_6.3/high_x4c.mtz SEQIN
/home/jie/Structures/local/se-p26c8newn6/ccp4_6.3/seq.seq HKLOUT
/home/jie/Structures/local/se-p26c8newn6/ccp4_6.3/high_x4c_mrbump_soln1.mtz
XYZOUT
/home/jie/Structures/local/se-p26c8newn6/ccp4_6.3/high_x4c_mrbump_soln1.pdb
has failed with error message
Traceback (most recent call last):
File "/usr/local/ccp4-6.4.0/bin/mrbump", line 107, in <module>
queue = master.fast_search_MR(init, target_info, mstat)
File
"/usr/local/ccp4-6.4.0/share/mrbump/include/initialisation/MRBUMP_master.py",
line 482, in fast_search_MR
ps.get_top_hit(mstat.sorted_MR_list, init, mstat)
File "/usr/local/ccp4-6.4.0/share/mrbump/include/structures/Matches.py",
line 1431, in get_top_hit
CHAIN=mstat.chain_list[chain]
KeyError: '1e6j_p2'
It was running fine with CCP4-6.3. Could someone help please?
Thanks!
Jie
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