Hi,
> Done that, and it worked beautifully. Thanks. I think the spaces may
> have got there in the first place due to a script which Wim wrote for me
> to import stuff from Sparky.
Indeed - this is because I was naming them as 'chainCode.seqCode.atomName'
from the modified Sparky import to make it easier to reassign them inside
Analysis, and chainCodes can be spaces. Strange this didn't show up before
though - as I was using straightforward direct API calls this should've
been picked up if there was a 'no whitespaces' constraint.
Guess we'll have to rediscuss that 'no whitespace' issue over here - there
might be other projects with spaces in the resonance.name.
Wim
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