Re: [ccp4bb] density modify.inp is not running in cns1.2 but runs in cns1.1

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

Previous message:
Subject: Re: density modify.inp is not running in cns1.2 but runs in cns1.1
From: William Scott wgscott {- at -} CHEMISTRY {- dot -} UCSC {- dot -} EDU
Date: 2008-04-23

Next message:
Subject: Michele Cianci is out of office.
From: Michele Cianci michele {- dot -} cianci {- at -} EMBL-HAMBURG {- dot -} DE
Date: 2008-04-23

Subject: Re: density modify.inp is not running in cns1.2 but runs in cns1.1
From: Axel Brunger brunger {- at -} STANFORD {- dot -} EDU
Date: 2008-04-23

I certainly have not experienced this problem with our pre-compiled
Intel version for mac os X that is
available when downloading CNS 1.2 from the CNS website.

Axel

On Apr 23, 2008, at 7:59 AM, William Scott wrote:

> Could one or both of you try this with the pre-compiled intel
> version that comes from the CNS website? If it works on that, it
> might be something introduced in the compiling process for the osx-
> optimized version made by David.
>
> Thanks.
>
> Bill
>
>
> On Apr 23, 2008, at 7:26 AM, Sean Johnson wrote:
>
>> Raja,
>> I don't have an answer for you, but I have been experiencing the
>> same problem. My guess is that a bug was introduced into version
>> 1.2. My workaround is to use DM. I haven't had problems with any
>> of the other cns scripts in version 1.2.
>> Sean
>>
>>
>> Raja Dey wrote:
>>> Hi All,
>>> I am trying to run density_modify.inp in cns 1.2. it stops
>>> with the error enclosed below. But, it runs with cns 1.1
>>> perfectly. I am using the same two data files(e.g.
>>> p65_se_rdey.hkl.cv and combine.hkl). Does anyone have experience
>>> like this? Any solution is well appreciated. Regards...
>>> Raja
>>>
>>> ANOMalous=TRUE {ON}
>>> Program version= 1.2 File version= 1.2
>>> %XMAPASU-AUTOmem: increasing memory allocation to 2000000
>>> Minimum brick that covers asymmetric unit:
>>> A= 0,..., 64 B= 0,..., 64 C= 0,..., 25
>>> Sum of 5287 elements = 5287.0000
>>> SHOW: average of 102400 elements= 0.0000
>>> ANOMalous=TRUE {ON}
>>> XMPST: average = 0.0000 minimum = 0.0000 maximum = 0.0000
>>> XMPST: r.m.s. = 0.0000 norm = 0.0000
>>> XMHISTO: (default from map) RHOMIN and RHOMAX = 0.0000 0.0000
>>> %XMHISTO-ERR: a complete flat map.
>>> XMHISTO: (default from map) SLOT width = 0.000000
>>> %XMHISTO-ERR: the SLOT width is too small 0.00000
>>> XMHISTO: the number of slots MBINS=10000 and width SLOT= 0.0000
>>> %XDOTYPE-ERR: Variable/type mismatch:
>>> do (masksol=1) (real(automap) <= $cutoff)
>>> ^
>>> %DO-ERR: Data type mismatch. Selection must be a logical
>>> expression.:
>>> do (masksol=1) (real(automap) <= $cutoff)
>>> ^
>>> %SHOW error encountered: There were errors in DO expression.
>>> (CNS is in mode: SET ABORT=NORMal END)
>>> *****************************************************
>>> ABORT mode will terminate program execution.
>>> *****************************************************
>>> Program will stop immediately.
>>> ============================================================
>>> Maximum dynamic memory allocation: 18336916 bytes
>>> Maximum dynamic memory overhead: 360 bytes
>>> Program started at : 18:01:44 on 21-Apr-2008
>>> Program stopped at : 18:01:46 on 21-Apr-2008
>>> CPU time used : 1.9700 seconds
>>> Total runtime : 0.0000 seconds
>>>
>>> Program compiled by David Gohara
>>>
>>>
>>> Regards... Raja
>>>
>>> ------------------------------------------------------------------------
>>> Meet people who discuss and share your passions. Join them now.
>>> >
>>
>> --
>> Sean Johnson, PhD
>> R. Gaurth Hansen Assistant Professor
>> Utah State University
>> Department of Chemistry and Biochemistry
>> 0300 Old Main Hill
>> Logan, UT 84322-0300
>> (435) 797-2089
>> (435) 797-3390 (fax)
>> sean.johnson@usu.edu

Axel T. Brunger
Investigator, Howard Hughes Medical Institute
Professor of Molecular and Cellular Physiology
Stanford University

Web: http://atbweb.stanford.edu
Email: brunger@stanford.edu
Phone: +1 650-736-1031
Fax: +1 650-745-1463

CCP4bb navigation

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

Previous message:
Subject: Re: density modify.inp is not running in cns1.2 but runs in cns1.1
From: William Scott wgscott {- at -} CHEMISTRY {- dot -} UCSC {- dot -} EDU
Date: 2008-04-23

Next message:
Subject: Michele Cianci is out of office.
From: Michele Cianci michele {- dot -} cianci {- at -} EMBL-HAMBURG {- dot -} DE
Date: 2008-04-23