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Small Angle X-ray Scattering Initiative for Europe :: Forum
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PostPosted: 2017.03.07 11:08 
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Hi,

I am calculating a SANS curve from a PDB structure using CRYSON. The PDB has H's and D's added (with PHENIX). When saying "No" to the option "Account for explicit hydrogens? [ Y / N ]", I ignore the H's. But apparently the D's are not ignored. Shouldn't they be?

/Andreas


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PostPosted: 2017.03.09 12:21 
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Yes, they should be ignored. Thank you for reporting this.


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PostPosted: 2017.03.16 11:39 
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Fixed by SaxsMax, deuteriums will be ignored starting from the next ATSAS release 2.8.1.


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PostPosted: 2017.03.16 12:18 
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Great, thank you SaxsMax


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PostPosted: 2017.05.24 16:09 
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This issue has been fixed in ATSAS 2.8.1, please update.


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