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Small Angle X-ray Scattering Initiative for Europe :: Forum
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PostPosted: 2013.03.22 09:53 
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Joined: 2013.01.24 03:55
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I use CRYSON to simulate the SANS curve from PDB files. When I specify "-d2o 0 -dro -0.0562" as arguments (to simulate the SANS in H2O curve)
, there appears an error message saying

Error: Illegal keyword value:
Keyword # 2: [-DRO] = []

When I set positive values for "dro" or in the interacting mode, it works. But, I'd like to calculate the SANS in H2O curve in batch mode.
I use CRYSON ver 2.7 in Mac OSX 10.5.8.

Thank you very much in advance.


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PostPosted: 2013.03.25 13:22 
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Joined: 2011.09.07 15:53
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Location: Stanford
Currently, it is not possible to set negative values via the command line options.

If you want to use cryson in batch mode, you could create an answer-file. This would be a text file with the answers to the questions of the interactive mode on each line, respectively. Then you can use input redirection on the command line, e.g.
cryson < myanswers.txt


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PostPosted: 2013.04.09 06:44 
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Thank you very much for your response. I was able to calculate that with an answer-file.


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PostPosted: 2016.04.12 13:36 
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Joined: 2015.03.25 09:03
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Location: EMBL Hamburg
Since ATSAS 2.7.0 it is now possible to specify negative values on the command line


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