Date:
2014-12-23 13:33 |
Priority:
3 |
State:
Open |
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Submitted by:
Robbie Joosten (rjoosten)
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Assigned to:
Nobody (None)
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Summary:
Failure on CB-SE-HE bond angle in SEC |
| Detailed description |
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Running acedrg on seleno-cysteine (http://ligand-expo.rcsb.org/reports/S/SEC/SEC.cif) caused it to stop with:
//
The process stoped because of a runtime error in code 'libmol'!
See the associated log file 'SEC.cif_cod.log'.
//
The log file (attached) implied that there was no target for the CB-SE-HE bond angle in COD. Perhaps a suitable fallback value can be set. |
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