Re: [ccp4bb] refmac newligand noexit?

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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Subject: Re: refmac newligand noexit?
From: Garib Murshudov garib {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-10-26

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Subject: Re: refmac newligand noexit?
From: Pete Meyer pameyer {- at -} MCW {- dot -} EDU
Date: 2008-10-26

Thanks for the quick reply.

I got the noexit option for the ccp4-6.0.2 html, so you might have
already started adding it.

I've had no luck with 5.2.0019 (ignores either keywords, stops with new
ligand message) and 5.4.0077 (ignores noexit, fatal error for continue).
I'll give it a try with the latest 5.5 version.

Thanks again,

Pete

Garib Murshudov wrote:
> The keyword is
>
> make newligand continue
>
> (I need to add noexit option. It makes sense)
>
> regards
> Garib
>
> On 26 Oct 2008, at 22:10, Pete Meyer wrote:
>
>> Hi,
>> I'm attempting to use refmac to re-calculate a map from a published
>> structure. Most of the time, this works with no problems.
>> Occasionally, refmac stops with "New ligand has been encountered.
>> Stopping now".
>>
>> From the manual, I'd though that using MAKE NEWLIGAND NOEXIT should
>> prevent this, but that doesn't seem to be the case.
>>
>> Any suggestions for working around this?
>>
>> Pete
>>
>
> Garib Murshudov
> http://www.ysbl.york.ac.uk/YSBLPrograms/index.jsp
> Erice 2010: Structure and Function from Macromolecular
> Crystallography: Organization in Space and Time
> http://www.crystalerice.org/erice2010/2010.htm
>
>
>
>
>
>

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: refmac newligand noexit?
From: Garib Murshudov garib {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-10-26

Next message:
Subject: Re: buster-tnt on OSX ?
From: Gerard Bricogne gb10 {- at -} GLOBALPHASING {- dot -} COM
Date: 2008-10-26