Hello Patrick,
On 02/07/2020 21:03, Patrick Loll wrote:
[...]
Does anyone have an estimate for the flow rate one would typically
use for the cold nitrogen stream passing over a protein crystal in a
standard data collection?
[...]
A Cryostream 700 works at 5 litres per minute (gas), I believ
clear examples we found to illustrate the question.)
Is there any reason to prefer one of these approaches over the other?
Does it just depend on what ligands are already in the PDB?
Thanks,
--
Ian Clifton ⚗ ℡: +44 1865 275677
Chemistry Research Laboratory ℻: +44 1865 285002
Oxford
resolution. Enjoy.
Hi Pierre,
Ah, memory lane! Can you remember how long the FAST was in use on 9.6? I
guess it was replaced by an early Mar.
--
Ian Clifton ⚗ ℡: +44 1865 275677
Chemistry Research Laboratory ℻: +44 1865 285002
Oxford University 📧: ian.clif...@chem.
I wrote:
> Frank von Delft writes:
>
>> No, the point is: uniqueify manages to not always do this.
>
> The “uniqueify” script depends on the “unique” program, which seems to
> contain a built‐in low‐resolution limit of 50Å. Could it be this isn’t
> always low enough?
No, scrub that—the low res
Frank von Delft writes:
> No, the point is: uniqueify manages to not always do this.
The “uniqueify” script depends on the “unique” program, which seems to
contain a built‐in low‐resolution limit of 50Å. Could it be this isn’t
always low enough?
--
Ian Clifton ⚗ ℡: +44 1
"Dr. Isabel De Moraes" writes:
> Any suggestions regarding to the positive densities?
>
Your pictures didn’t seem to make it as attachments, at least as
received here.
BW,
--
Ian ◎
Edwin Pozharski writes:
> I expect this not to exist, but is there a way to define a variable in
> a cif-file (e.g. a global esd target for, say, angles)?
No, I don’t think either CIF or CIF2 have such variables/macros, I’m
afraid.
--
Ian Clifton ⚗ ℡: +44 1865 275677
Che
Laurent Maveyraud writes:
> this is explained in details in table 2.2.4.1 of vol A of
> International Tables of Crystallography (p 18 in my edition).
>
> For trigonal/hexagonal, the primary direction is along c, along the
> 3-fold (6-fold axis). It's the same in tetragonal (obviously for the
> 4-
"Edward A. Berry" writes:
> The plane will scatter, and all atoms in the plane will scatter in phase
> if angle of incidence equals angle of reflection. this is how a mirror
> reflects. Furthermore all the parallel planes will also reflect at this angle.
> Trouble is the beams scattered from the
avinash singh writes:
> wwdwwwy
Wow, imagine the fluorescence from that…
--
Ian ◎
On 05/08/13 09:03, Tim Gruene wrote:
having read Gerard Kleywegt's latest announcement on the wwPDB Workshop
(1st August) made me wonder whether it is planned to introduce mmCIF as
working format to users in addition to using it at e.g. the PDB, because
I think that would make life unnecessarily
Martyn Winn writes:
> I think Phil saw something nasty in the woodshed ...
>
> HTH
> Martyn
>
>> -Original Message-
>> From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
>> Roberto Battistutta
>> Sent: 02 May 2013 11:07
>> To: ccp4bb
>> Subject: [ccp4bb] Why the name "a
Hi Fred,
vellieux writes:
[...]
> I get errors (at run time) of the type:
>
> At line 138 of file program.f (unit = 6, file = 'stdout')
> Fortran runtime error: Missing initial left parenthesis in format
>
[...]
Mmm, that kind of error rings a bell … is the relevant format a string
rather th
I need to make dictionaries for a ligand that includes an unnatural
amino acid (D chirality, and unnatural side‐chain) amongst a short
sequence of natural amino acids. Sounds easy, but how to do it? I’m
thinking of first making my unnatural amino acid in isolation, then
using an editor to fix up th
Tom Murray-Rust writes:
> Hi Juergen,
>
> Your scheme as printed has two J's - so January and July are
> indistinguishable! I would suggest the letters should instead be
> JFMAYULGSOND.
>
> Happy apocalypse!
>
> Tom
>
> On 21 Dec 2012, at 01:52, "Bosch, Juergen" wrote:
>
>
> May I introduce
王瑞 writes:
> I'm sorry for a little off-topic! I want to install HKL2000 on
> ubuntu11.10 32bits, but it produces a file named "info" not "cr_info"
> after run the access_prod program.And when I put "info" to
>
> /usr/local/lib directory and typing"HKL2000" in terminal, it display:
> root@
"Froehlich, Chris" writes:
> is there any program enclosed in CCP4 to convert a *.brix file or a
> *.mrc file into a CCP4.map file?
>
> If not, is there any other way to do so?`
MAPMAN from Uppsala (http://xray.bmc.uu.se/usf/) can read BRIX (and
write CCP4), not sure about .mrc format though.
--
Ethan Merritt writes:
> On Thursday, June 14, 2012 12:06:13 pm James Stroud wrote:
>> Hello All,
>>
>> I would like to discuss symmetry axes, but I'm not sure what the
>> notation convention is. For example, I'd like to say something about
>> a 2(1) along the x-axis, but the phrase "the 2(1) sym
g F(+) AND FP - incompatible ***
[...]
This just means you have to choose one of the sets {FP, SIGFP, DP,
SIGDP} or {F(+), F(-) SIGF(+), SIGF(-)} — you can’t have both.
--
Ian Clifton ⚗ Phone: +44 1865 275677
Chemistry Research Laboratory Fax: +44 1865 285002
Oxford University
Huayue Li writes:
>I have got a problem on building the N-terminal pyroglutamic acid
>(PCA).
>
>
>I'm afraid I have successfully defined *.top, *.param and *.link files
>of PCA; and also successfully output *.mtf and *.pdb files.
>
>Everything seems right! I can not find any p
for everything as a default, I don’t like! Remember
Homer Simpson’s web page?
Of course purists would say the most universal email format is US-ASCII,
format=flowed…
--
Ian Clifton ⚗ Phone: +44 1865 275677
Chemistry Research Laboratory Fax: +44 1865 285002
Oxford University ian.clif...@chem.ox.ac.uk
Mansfield Road Oxford OX1 3TA UK
On 15/03/11 12:57, A Leslie wrote:
…
>
> I then try using LIBCHECK standalone to get the PDB file. I get the
> same error if I use the FILE_CIF input keyword and give it the
> filename for ADN.cif, no surprise, as this is (I assume) what COOT does.
>
> I then copy over ADN.cif to my local dir
ogram/option I can use to calculate the B factors for parts of
> the model?
There’s BAVERAGE in CCP4—in CCP4i it’s under the “Structure Analysis”
tab. It should work as long as your different components are separate
chains in the PDB file.
--
Ian Clifton Phone: +44 1865 2756
On 04/02/11 12:40, Vellieux Frederic wrote:
> Before re-inventing the wheel...
>
> Is there anywhere some software (freely available software, I mean) that
> can add some Gaussian noise to data. The data is currently stored in a
> data column in an mtz (not phase data, but "amplitudes", "sigma
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