It's not all that hard to exceed it with a protein crystal too.
A 50 um wide lysozyme crystal sitting in a 50x50um beam will scatter
into a single spot up to:
I = 7e-14*flux*(F/mosaic)^2
Where I is in photons/s
flux is incident photons/s
mosaic is in deg
F is the structure factor of the
Bernhard,
Sounds like you are plotting something similar to what I was tinkering
with once. A script you may find useful is this one:
https://bl831.als.lbl.gov/~jamesh/bin_stuff/map_func.com
I wrote this because although mapmask, maprot, etc have very useful
functionalities I found I wanted
Hello,
I'm attempting to build pymol on a laptop running MacOS Catalina 10.15.5,
Processor 2.8GHz Quad-Core Intel i7, Graphics Intel Iris Pro 1536 MB
I downloaded the latest version of Xcode 11.1
I tried from Fink (fink install pymol-py27) and Macports (sudo port install
pymol), as indicated
Hi Hari
If I understood you correctly, you want to modify and subsequently dock it onto
a complex structure, right? For me, the following workflow turned out to be
most straightfwd:
- build it in MOLOC (http://www.moloc.ch/). It lets you very easily modify an
existing molecule without the
Hi Hari,
I typically draw formulae using ChemDraw online, export SMILES and use
them to get PDBs/CIFs from Grade web server (Global Phasing). Both
ChemDraw and Grade web servers are free to use.
Hope that helps,
Tomas
On Sat, Jun 13, 2020 at 6:01 PM Hari shankar
On 13/06/2020 18:16, Paul Emsley wrote:
On 13/06/2020 17:50, Hari shankar wrote:
I want to build a ligand that does not exist in reality (or be able
to modify an existing ligand as per choice).
1. JLigand in the ccp4 suite seems to work only on java and gives me
an “configuration problem”
On 13/06/2020 17:50, Hari shankar wrote:
I want to build a ligand that does not exist in reality (or be able to
modify an existing ligand as per choice).
1. JLigand in the ccp4 suite seems to work only on java and gives me
an “configuration problem” as an error message on my Windows. I am
Hi all,
I want to build a ligand that does not exist in reality (or be able to modify
an existing ligand as per choice). 1. JLigand in the ccp4 suite seems to work
only on java and gives me an “configuration problem” as an error message on my
Windows. I am new to this and unaware of how to
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