On 02/13/2013 04:51 AM, Emmanuel Levy wrote:
Hello,
I have been looking for a tool to measure the "Protein accessible
surface area", which could be defined exactly as the solvent ASA
except with a probe of larger radius.
Most tools that calculate ASA however do not work with a probe radius
of a
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You can do much the same with Aimless but I'm not sure about ctruncate. No
access to documentation at present
If the Is came from Fs by squaring them in Pointless then it is important not
to truncate them, just square root them
Phil
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On 12 Feb 2013, at 19:46, Clemens Vonr
Hello,
I have been looking for a tool to measure the "Protein accessible
surface area", which could be defined exactly as the solvent ASA
except with a probe of larger radius.
Most tools that calculate ASA however do not work with a probe radius
of a size equal to 10 or 50 Angstroms. Plus, ideall
Hi Phil,
what I tend to do if I want to stay as close as possible to the
original data:
scala hklin some.mtz hklout tmp.mtz < Ah I'm not sure about that. It may be possible to tell ctruncate not to do
> this. Actually if you started with Fs you don't want to truncate the data.
> Maybe use old
On Tuesday, February 12, 2013 09:52:19 am Phil wrote:
> Ah I'm not sure about that. It may be possible to tell ctruncate not to do
> this.
> Actually if you started with Fs you don't want to truncate the data.
Pointless changes the Fs to Is, so you need to get back to Fs somehow.
Ethan
Ah I'm not sure about that. It may be possible to tell ctruncate not to do
this. Actually if you started with Fs you don't want to truncate the data.
Maybe use old truncate with the notruncate option
Phil
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On 12 Feb 2013, at 18:48, Ethan Merritt wrote:
> On Tuesday, February
On Tuesday, February 12, 2013 12:39:57 am Phil wrote:
> "Scale constant" in Aimless or Scala should do it. I should probably make
> that automatic.
"scale constant" did indeed persuade aimless/scala to run.
However, what seems to have happened is that aimless/scala expanded the original
[I, SIGI
"Scale constant" in Aimless or Scala should do it. I should probably make that
automatic.
I should probably also add a CIF reader to Pointless. Is there a good (easy)
C++ one out there?
Phil
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On 12 Feb 2013, at 08:08, Jens Kaiser wrote:
> Ethan,
> The last time I attempt
