[phenixbb] Reduce NQH

[Pavel Afonine]

Hello,

do you have two-letter chain IDs in PDB file?

Pavel

On 12/19/13, 4:33 PM, jp d wrote:
> hi,
> we were going through the logs recently and see something odd during 
> Reduce N/Q/H analysis
> the log file looks like this:
> ================================== NQH flips 
> ==================================
> r_work=0.3047 r_free=0.3518
> Analyzing N/Q/H residues for possible flip corrections...
> segID AL01 renamed chain A for Reduce N/Q/H analysis
> segID AL02 renamed chain B for Reduce N/Q/H analysis
> ...
> segID AL29 renamed chain Y for Reduce N/Q/H analysis
> segID AL30 renamed chain Z for Reduce N/Q/H analysis
> segID AL32 renamed chain a for Reduce N/Q/H analysis
> segID AL33 renamed chain a for Reduce N/Q/H analysis
> segID AL34 renamed chain b for Reduce N/Q/H analysis
> segID AL35 renamed chain b for Reduce N/Q/H analysis
> ...
> segID BL28 renamed chain z for Reduce N/Q/H analysis
> segID BL31 renamed chain z for Reduce N/Q/H analysis
> segID BL13 renamed chain AA for Reduce N/Q/H analysis
> segID BL29 renamed chain AB for Reduce N/Q/H analysis
> ...
>
> we noticed that the lower case chain letters start to duplicate 
> themselves and are not unique to each segid.
> when it starts the two letter chain, everything seems unique again.
> forgive me if that is expected, it just seems kind of strange
>
> this was seen in mutlple log files and we are using version
> Version: 1.8.4
> Release tag: 1496
> if you need our files or more details, let me know
>
> thanks
> jpd
>
>
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