[phenixbb] building dna in cooffs.mtz created in phenixt

sbiswas2 at ncsu.edu sbiswas2 at ncsu.edu
Wed May 20 08:40:20 PDT 2009


Hi Raja,

> I also have a basic question? When I am using 'Auto open mtz' under file
> to open *_map_coeffs.mtz created in phenix I am getting two different
> colored maps for 'FOFCWT PHFOFC'. Which one is what? Are they (+ve) and
> (-ve) sigma level?

FoFCWT is the amplitude and PHFOFC is the phase of the FOFC map. If you
want to open the 2FOFC click on the corresponding amplitudes and phases.
FoFC is colored in green (+ve density) and red (-ve density. You can
change the colors in coot.
Shya


> Dear Paul,
>                    Could you please tell me how I can drug 1 or 2
> nucleotide at a time? Do I need to create a fragment?
> Can I do real space refine for nucleotide?
>
> I also have a basic question? When I am using 'Auto open mtz' under file
> to open *_map_coeffs.mtz created in phenix I am getting two different
> colored maps for 'FOFCWT PHFOFC'. Which one is what? Are they (+ve) and
> (-ve) sigma level?
> Thanks for your help.
> Regards...
> Raja
>
> R
>
> ----- Original Message -----
> From: Paul Emsley <paul.emsley at bioch.ox.ac.uk>
> Date: Tuesday, May 19, 2009 3:39 pm
> Subject: Re: [phenixbb] building dna in coot
> To: PHENIX user mailing list <phenixbb at phenix-online.org>
>
>> Raja Dey wrote:
>> > Dear Friends,
>> >
>>
>> > Does anyone have experience of building dna in coot? I can see
>> the clear density, but I need to move some
>> > nucleotides. Any suggestion/direction is welcome.
>>
>> Dear Raja,
>>
>> (Not that I've done a lot of this you understand) but what you need
>> to
>> do depends on how bad your model is (and how good your map is).  If
>> it's
>> close you can simply click and drag around a residue range (more
>> than 3
>> residues takes some experience to handle correctly (generally I
>> don't do
>> that)).
>>
>> If the model is a long way off, I'd delete the bits that don't fit
>> to
>> density - and build off a well-fitting stump using add terminal
>> residue
>> and simple mutate (and then refine).  And repeat.
>>
>> You might find the Watson-Crick Base Pair tool useful.
>>
>> HTH,
>>
>> Paul.
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