Olex2 Overflow error

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KaneMcQuaid
Posts: 1
Joined: 02 Apr 2017, 14:10

Olex2 Overflow error

Post by KaneMcQuaid » 04 Aug 2017, 10:52

Having a small issue whilst trying to refine in Olex2. When attempting to refine I receive an error quoting:
"OverflowError: can't convert negative value to unsignedKey variable values:
self = <smtbx.utils.connectivity_table object at 0x000000001CB21908>
j_seq = 130
i_seq = -1
rt_mx_ji = <cctbx_sgtbx_ext.rt_mx object at 0x0000000087F4A48>

I am unfamililar with this error and it seems to occur when trying to refine after splitting a molecule, but has occurred at different stages also. Is anyone familiar with this error?

Thanks in advance

User avatar
oleg
Olex2 Boffin
Posts: 671
Joined: 24 Nov 2008, 21:34

Re: Olex2 Overflow error

Post by oleg » 08 Aug 2017, 09:48

Hi,

I think I even have sen something like this - it may happens for structures with complex connectivity. Try saving the structure and reloading it - if it does not help, you may need to use SHelXL for the refinement which is available through Olex2 as well,

Cheers,
Oleg.

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