For each observation or measurement, HKL, d*TREK, and all other common
programs to my knowledge add up the bits of each relfection from its parts.
They do not add parts of of other reflections (even if symmetry-related)
into a reflection. Reflections for which only part of the Bragg peak is
measur
Hi,
I was wondering if anyone knows what HKL 2000 does? Does it merge all
partials and treat it as one, because often times I noticed with increase in
partials the redundancy increases.
Shya
On Fri, Jul 15, 2011 at 1:24 PM, James Holton wrote:
> At the risk of asking a question to which I shou
Summed partials count as one. SCALA doesn't adjust for <360deg, maybe it should
as they are not independent. What would you call them?
I prefer "multiplicity" since Elspeth Garman commented "if they are redundant
why bother measuring them"
Phil
Sent from my iPhone
On 15 Jul 2011, at 18:24, J
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At the risk of asking a question to which I should already know the answer:
do partials "count" as "redundancy"?
That is, in SCALA, is the number of "observations" the number of
recorded spots? Or is it the number of recorded spots after adding
partials? If it is the latter, what happens if
On Fri, 2011-07-15 at 09:26 +0100, Phil Evans wrote:
> Ed. You could count them from the unmerged output as you say, or I
> could make you a special version of SCALA or Aimless maybe next week
>
Phil,
that would be fantastic! Hope there is broader interest in such option
(beyond Robbie and myse
does it work on Windows ?
Just curious, because I will hit this "roadblock" soon.
Jürgen
On Jul 15, 2011, at 10:37 AM, Steiner, Roberto wrote:
...and in zsh for me
r
On 15 Jul 2011, at 14:56, Harry Powell wrote:
and in tcsh for me...
On 15 Jul 2011, at 14:48, Bosch, Juergen wrote:
works
...and in zsh for me
r
On 15 Jul 2011, at 14:56, Harry Powell wrote:
and in tcsh for me...
On 15 Jul 2011, at 14:48, Bosch, Juergen wrote:
works fine in bash for me
On Jul 15, 2011, at 5:51 AM, Steiner, Roberto wrote:
I only managed to get it working using zsh.
All other shells were giving
Hi Chris,
set cartoon_side_chain_helper=1, HISA
should be
set cartoon_side_chain_helper=1
That setting cannot yet be applied just to a specific set of atoms:
it's a global setting. This is something we should add to our to-do
list.
Cheers,
-- Jason
--
Jason Vertrees, PhD
PyMOL Product Mana
Hi Christopher,
I saw your script and there's many ways to the same destination. Here's how
my brain thinks:
load A.pdb
hide everything, A
show cartoon, A
[cmds for whatever else I like: fancy helices etc. etc.]
Option 1:
show sticks, A and resi 197-199
Option 2:
And if you hate that the backbo
Hi,
I'm a little stuck with a Pymol script. I'd like to represent my protein
with fancy helices and B-sheets, and in a looped domain I want to show a
few residues, but only the side chains.
In my script I tried using "set cartoon_side_chain_helper, on, HISA" on
the selection of residues I want t
Dear All
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To celebrate, we have put together a collection of highly cited
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Best wishes
and in tcsh for me...
On 15 Jul 2011, at 14:48, Bosch, Juergen wrote:
> works fine in bash for me
> On Jul 15, 2011, at 5:51 AM, Steiner, Roberto wrote:
>
>> I only managed to get it working using zsh.
>> All other shells were giving me errors.
>>
>> Ciao
>> R.
>>
>>
>>
>> On 15 Jul 2011, at
works fine in bash for me
On Jul 15, 2011, at 5:51 AM, Steiner, Roberto wrote:
I only managed to get it working using zsh.
All other shells were giving me errors.
Ciao
R.
On 15 Jul 2011, at 10:40, Sebastiano Pasqualato wrote:
Hi all,
has anybody managed to have hkl2map running on an intel-ba
thanks Joachim.
thanks Luca,
the path hint was successful.
I have added the lines :
export SHELXPATH=~/xtal/shelx_intelmac
export PATH=$PATH:$SHELXPATH
to my .bashrc, rather than adding the aliases, and now hkl2map find the shelx
executables.
(it does complain that I don't have xfit, but I gu
I only managed to get it working using zsh.
All other shells were giving me errors.
Ciao
R.
On 15 Jul 2011, at 10:40, Sebastiano Pasqualato wrote:
Hi all,
has anybody managed to have hkl2map running on an intel-based Mac?
I have downloaded and installed the shelx programs, which I have alias
Just a hint:
Subshels do not always use aliases, so put shelx etc. in your path e.g. in
/usr/local/bin
Am 15.07.11 11:40, schrieb Sebastiano Pasqualato:
Hi all,
has anybody managed to have hkl2map running on an intel-based Mac?
I have downloaded and installed the shelx programs, which I have al
Hi Ed,
I was recently looking for that value myself, but couldn't find it. I suppose
(at some point) it may be useful information to deposit. If something is a mean
value, it is nice to know how many individual values were used to construct
that mean. Unfortunately, there doesn't seem to be
No M/ISYM is different it's the symmetry number plus a full or partial flag.
Ed. You could count them from the unmerged output as you say, or I could make
you a special version of SCALA or Aimless maybe next week
Phil
Sent from my iPhone
On 14 Jul 2011, at 23:15, Ethan Merritt wrote:
> On T
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