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SOLVE / RESOLVE electron density map calculated after automatic
solution at 2.4 A of a MAD structure with 56 selenium atoms followed by
automatic maximum-likelihood density modification. Data and model courtesy
of Ward Smith and Cheryl Janson |
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Many new features for versions 1.18/1.19/2.01/2.02/2.03 of SOLVE:
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SOLVE now will analyze your MAD/SAD data to identify to what resolution
there is significant signal in your data; then it will carry out heavy-atom
searches and phasing to this resolution. It will write out all the data
for RESOLVE to read in and use in phase extension. You can set the
working resolution with "res_phase" too.
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SOLVE now has easy scripts for SAD
phasing.
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SOLVE now writes out heavy atom sites in fractional coordinates in solve.xyz
and also the inverse in solve_inverse.xyz. You can copy these into your
script and use ANALYZE_SOLVE
to easily re-run either a modification or the inverse.
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SOLVE has even better MAD phasing! SOLVE now re-refines
scattering factors using the final heavy atom parameters, improving the
final phases. In combination with
RESOLVE, the final maps are greatly improved over earlier versions.
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Must faster search for
solutions: SOLVE now follows only the very best solution by default, greatly
speeding up the search in most cases.
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You can start from
MR or other input phases.
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You can read CCP4 unmerged
intensities directly.
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You can specify a SOLVETMPDIR
where SOLVE will write scratch files.
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You can tell SOLVE where some sites are and go on from there easily with
ANALYZE_SOLVE
and with ADDSOLVE
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There is now a SOLVE FAQS page.
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You can load the SOLVE manual with a web browser just by typing "solvehelp"
on your terminal!
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Versions 1.19 and 2.01 correct bugs in SAD phasing and allows 6 derivatives
again
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