Hmm - that looks almost too good - Mask volumes are expected to be less
than 1..
NCS operator statistics:
Operator_number Mask_volume/ASU Correlation
11.0010.911
20.9980.912
30.9540.863
There you go Eleanor
Best wishes, — Savvas
# Task 41 parrot running cparrot
# Mini-MTZ input to HKLIN:
# Data type parameter jobannotation
# Reflections F_SIGF 39 il_phaser.1.259: NULL_dname imported
by job 39
The extract from the log file looks OK - can you send the whole log.txt?
Eleanor
On Fri, 25 Jun 2021 at 12:09, Savvas Savvides
wrote:
> Dear colleagues,
>
> I am trying to run Parrot via CCP4-7.1.014 and the CCP4i2 GUI on a
> MacBookPro (OSX 10.15.7) and keep getting the following error report
Hi Dhiraj - In addition to the other good suggestions, you may also wish to
try codon optimization and different secretion signal peptides if your
target protein is secreted.
Hope that helps.
Cheers,
Jared
On Thu, Jun 24, 2021 at 4:42 PM Srivastava, Dhiraj <
dhiraj-srivast...@uiowa.edu> wrote:
Dear colleagues,
I am trying to run Parrot via CCP4-7.1.014 and the CCP4i2 GUI on a MacBookPro
(OSX 10.15.7) and keep getting the following error report as the program is in
the process of outputting SigmaA statistics.
Below, I provide two pieces of information:
(1) The Error message
(2) The la
That's right. The S-OH configuration is imposed by the CIF dictionary
for the ligand that you are using in REFMAC. You can edit the dictionary
with e.g., jligand, save a local copy and feed that copy to REFMAC - it
will override the library definition of the ligand.
On 25/06/2021 10:58, Pea
Hello Shipra,
If you have defined the small molecule with a cif dictionary file (used for
refinement in REFMAC), then take a look at that file and see whether it is
correctly defined.
You can manually edit these files or remake them using any number of programs
to get the parameters you think a
Hello everyone,
I am trying to refine a protein-ligand complex structure.
The ligand is a small molecule and at one end has Sulfur that has three
branches of O, NH and CH3.
Sulfur is attached to oxygen by a double bond (S=O). After fitting the
ligand, I did refinement using Refmac5 with default s
