[ccp4bb] issues with TLS refinement

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

Previous message:
Subject: Re: Problem with Rfree and Rfac
From: tara kashav kashavtara {- at -} GMAIL {- dot -} COM
Date: 2009-05-21

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From: Ethayathulla Abdulsamath ethaya_aiims {- at -} REDIFFMAIL {- dot -} COM
Date: 2009-05-21

Subject: issues with TLS refinement
From: Seema Mittal seema {- dot -} mittal {- at -} UMASSMED {- dot -} EDU
Date: 2009-05-21

>> The issue is:
>>
>> While running tls and restrained refinement, the program doesn't
>> perform the given no. of tls refinements. For e.g., if you ask it
>> to perform 10 TLS and 5 restrained refinement rounds, it'll run
>> may be 2 or 3 rounds of TLS and then jump to restrained refinement
>> rounds and finish the job. It is, however, finishing the given no.
>> of restrained refinements every-time. There is no error message
>> or any indication of abrupt ending to tls refinements in the log
>> file either.
>> I am not sure if it is an issue with the latest ccp4suite 6.1.1
>> version or something else is going on. Please advice.

Hi Ronan,

Thanks for your reply. We tried a few things to trouble shoot this
issue but it is still not resolved. I am hoping the Refmac author
would have better idea so as how to resolve it.

We upgraded refmac to the latest version 5.5.0092 hoping it'll work.
But it didn't help much.
Now the TLS refinement cycles go to completion when simple scaling
method is chosen. But when Babinet scaling is chosen, the TLS
refinement again behaves erratic,i.e., doesn't finish the full set of
TLS cycles.

I hope your further inputs will help us resolve this issue.

Thanks again,

Best,
Seema Mittal

CCP4bb navigation

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

Previous message:
Subject: Re: Problem with Rfree and Rfac
From: tara kashav kashavtara {- at -} GMAIL {- dot -} COM
Date: 2009-05-21

Next message:
Subject: MAD phasing
From: Ethayathulla Abdulsamath ethaya_aiims {- at -} REDIFFMAIL {- dot -} COM
Date: 2009-05-21