Activity for Pavel Afonine
-
Pavel Afonine committed [r25724]
A better alternative to minimizing the libratio...
-
test
-
See if using another method of finding t_0 work...
-
use autoscale
-
Support for charged elements in neutron scatter...
-
This will fix assert n_branches <= 2, n_branche...
-
Adjust step
-
Do it only once!
-
Accumulate top largest sub-masks
-
bug fix
-
Make sure solvent regions of the mask on specia...
-
Make use of difference map to pre-screen sub-ma...
-
do more cycles
-
more tweaking
-
more heuristics
-
Bug fix: do not remove bin if it is the only bin!
-
chop off lowest res bin if R>0.7: can make a hu...
-
extend range
-
fem: bug fix pointed out by Oleg; fmodel: do se...
-
bug fix: missing master mask
-
Some cleanup, try two grid steps and two bss me...
-
Still experimental code
-
Still largely experimental and unexercised code...
-
use pdb inp or sites
-
Temporary hack to pass pdb.input to Resolve DM
-
Temporary hack to pass pdb.input to Resolve DM
-
Remove junk print
-
Use free-R based cross-validation in selecting ...
-
Minor cleanup, turn u_tls_vs_u_ens into a class
-
Turn it into a class because it needs to return...
-
remove outliers again and use updated arrays fr...
-
tls help utils
-
refactor a little
-
make histograms fixed dimensions
-
widen range of possble k_mask
-
comments, bug fix (initialize varibales before ...
-
allow negative k_mask for some resolution bins
-
switch to using P1 for connectivity analysis; l...
-
switch to using P1 for connectivity analysis; l...
-
further tune-ups
-
disable update_f_part1
-
Accumulate large sub-masks into one mask
-
missing commit?
-
bug fix
-
exercise structure_factors_from_asu_map
-
add structure_factors_from_asu_map; output stat...
-
renamed
-
add low/high r methods
-
Multi-region (mask) bulk-solvent: each sub-mask...
-
missing import
-
Helper functions for parallel ADP refinement.
-
Parallel ADP refinement in real space. Bug fix:...
-
Gradient and curvatures for linear N-mask optim...
-
Enable c-beta restraints for UNK, plus test.
-
Allow no weights in fmodels. Checksum in fmodel.
-
add model based remove outliers
-
add model based remove outliers
-
Bug fix (printing); more informative output
-
Add convert_met_to_semet
-
Switch to polynomial model in case of twinning
-
Make sure maps are non-anomalous!
-
Minor clean-up on passing. Speed is a serious i...
-
Bug fix, add CCpeak, change radius to be 2.0 (f...
-
Support for 1d maps in D function
-
Use CC to test polder hypothese maps
-
make less comprehensive but much faster
-
Add cis peptide stats
-
bug fix: propagate flag for HD accounting; fix ...
-
more tests
-
bug fix: exclude water
-
Show parameters unconditionally
-
Catch B=0 and stop nicely.
-
Support several TLS groups, output three files:...
-
unused imports
-
Numerous bug fixed brought by David Case, and l...
-
Add experimental code to analyze significance o...
-
clean clutter
-
This should address a couple of t96 failures
-
Misc change due to bss scaler change
-
Misc changes due to scaler change
-
Misc edits due to using new scaler
-
Misc edits due to using new scaler
-
Misc edits due to using new scaler
-
Move specialized scaling code into a separate l...
-
Remove unused parameters; ad hoc support of one...
-
Add some notes and comments
-
Curvatures based k,b,u minimizer
-
Multiple misc adjustments due to using curvatures
-
Fortify test
-
Use new 2nd derivatives based minimizer
-
Finite difference and regression tests for flat...
-
Finite differences tests for 1st and 2nd deriva...
-
Switch to using curvatures, improve calculation...
-
Update tolerances
-
New scaler, bss correction, H scattering accoun...
-
Make use of curvatures in bss
-
Missing class
-
Make use of curvatures in minimization
-
development tool for cryo-em comp.
-
moved to phenix tree
1 >
Gen AI apps are built with MongoDB Atlas
Atlas offers built-in vector search and global availability across 125+ regions. Start building AI apps faster, all in one place.