Hi all,
this is what I would do:
cmd.alter('all', 'b = mapping.get(resv, b)',
space={'mapping': dict((r['resnum'], r['value']) for r in data)})
Cheers,
Thomas
On 16 Jun 2015, at 05:10, Tsjerk Wassenaar <tsje...@gmail.com> wrote:
> Hi Jordan,
>
> The answer is something like (assuming reading from a file):
>
> newb=[float(i) for i in open("stuff.dat").read().split()]
> alter n. ca, b=newb.pop()
> spectrum b
>
> Hope it helps,
>
> Tsjerk
>
> On Tue, Jun 16, 2015 at 10:25 AM, Jordan Willis <jwillis0...@gmail.com> wrote:
> Hi Tsjerk,
>
> It seems everyone is pointing to this
> (http://www.pymolwiki.org/index.php/Color#Reassigning_B-Factors_and_Coloring)
> which I somehow missed. However, they seem to be altering one residue at a
> time like I’m doing.
>
>
> Jordan
>> On Jun 15, 2015, at 11:59 PM, Tsjerk Wassenaar <tsje...@gmail.com> wrote:
>>
>> Hi Jordan,
>>
>> Yes, although I don't have the answer at hand, it has been given on the user
>> list several times. You can find it in the archives.
>>
>> Cheers,
>>
>> Tsjerk
>>
>> On Jun 16, 2015 08:16, "Jordan Willis" <jwillis0...@gmail.com> wrote:
>> Hi,
>>
>> I have a dictionary that has a bunch of values I want to assign to b-factors
>> in order to color by. In my script:
>>
>> for residue in data:
>> cmd.alter(“resi
>> {}”.format(residue[‘resnum’]),”b={}”.format(residue[‘value’]))
>>
>> This executes the alter command for each residue. For some reason, its
>> taking forever in my script. Is there something inherently inefficient about
>> alter? And is there anyway to fix it? Perhaps, assign a bunch of b-factors
>> at once.
>>
>> Jordan
--
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.
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