Re: [ccp4bb]: warp/refmac5 bug?

[Garib Murshudov <garib@ysbl.york.ac.uk>]

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CYN Shammas wrote:

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> Dear all,
>         I'm getting an error message when auto-building hydrogens into
> my structure with refmac5 and then cycling through to warp to find new
> waters. The message,
>
> Illegal atom name: 1HG1 ILE A
>
> arrives while reading in the pdb generated by refmac5 to warp. Any
> ideas?

To avoind pthis problem I would remove MAKE HOUT Y from the script.

It will mean that the program will use hydrogens but they will not be

written to the output coordinate file.

Regards

Garib

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Garib N. Murshudov, Chemistry Department, University of York, U.K.
Tel: Home +44 (1904) 42 62 87, work:  +44 (1904) 43 25 65
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