Dear developers,
is there any chance that during the refinement with refmac the warning
Problems in MAKE_U_POSITIVE disappears again during the
ongoing refinement procedure?
If that is not the case, could refmac give a hint in which atom/TLS-group the
problem occours? So, a TLSANAL-step would be
Dear all,
does anybody know a program to
fill an unit cell a,b,c randomly by an arbitrary number
of spheres (atoms)?
Thank you for help,
Juergen
Dear all,
does anybody know a program to
fill an unit cell a,b,c randomly by an arbitrary number
of spheres (atoms)?
Thank you for help,
Juergen
Dear developers,
I wonder if the restrictions for MBATCH=1000 in CCP4-v6.0.2 and for scala
(maxbat=1000,maxpmr=2000,maxmat=1000, maxrun=3) hold also in V6.1?
Otherwise I cannot use the precompiled versions and have to recompile!?
Thank you,
Jürgen
Dear all,
a solved 2.6 Ang. structure shows the following estimated coordinate errors
REMARK 3 ESTIMATED OVERALL COORDINATE ERROR.
REMARK 3 ESU BASED ON R VALUE(A): 0.468
REMARK 3 ESU BASED ON FREE R VALUE (A): 0.279
REMARK 3
Dear depositors,
does exist there any program that is able to handle the beta-sheets of
complicated structures
like beta-helices, bifurcated sheets ... to produce the input for
PDB-deposition. The program included in
the PDB-deposition procedure failes in our case and there are lots of strands
