Hi all,
Is there any program (like ARP/wARP) available to locate the
correct metal atom automatically in the electron density ?
best,
Ansuman
could be a mixture of Mg2+ and Al3+Mark J van Raaij
CNB-CSIC
www.cnb.csic.es/~mjvanraaijOn 16 Jan 2015 20:07, ansuman biswas
wrote:
Dear users,
I have a data at 2.2 A resolution. I am able to model AlF3 into the electron
density (fig attached). However after one cycle of refinement the AlF3
could be a mixture of Mg2+ and Al3+Mark J van Raaij
CNB-CSIC
www.cnb.csic.es/~mjvanraaijOn 16 Jan 2015 20:07, ansuman biswas
wrote:
Dear users,
I have a data at 2.2 A resolution. I am able to model AlF3 into the electron
density (fig attached). However after one cycle of refinement the AlF3
Dear All, I have the scaled output and log file (from hkl2000) of
a dataset collected at synchrotron . The log file does not have the columns for
CC1/2, CC*, Rmeas and Rpim. I do not have access to the frames. Is it possible
to obtain the requisite parameters from just the scaled an
the ligand is actually there or not ?
The Twilight server appears to be for PDB files that have already been
deposited.
thanks and regards,
Ansuman Biswas,
dept. of Physics,
Indian Institute of science
Dear all,
I have 2 queries regarding RMSD calculation and interpretation.
1. When 2 residue stretches are superposed using CCP4 superpose, the log file
shows the atomwise-deviations between matched residue pairs. How to find the
total deviation/RMSD between a specified residue pair -
