Moved amore_search to rotsearch.init and added in a class to run phaser
Wrote a module to run phaser using the phaser API. This is about 2 times faster than using the bash interface.
Updated all related test cases and added a few new ones
Replaced anomalous fourier calculation in FFT with anode. This program appears to give more consistent results and additionally returns the closest atom which is a good indication of whether a model has been successfully placed.
Added a fix to a potential --skip_mr bug in the contaminant/morda search caused by the addition of the early termination MR search.
Moved amore_search to rotsearch.init and added in a class to run phaser
Wrote a module to run phaser using the phaser API. This is about 2 times faster than using the bash interface.
Updated all related test cases and added a few new ones
Replaced anomalous fourier calculation in FFT with anode. This program appears to give more consistent results and additionally returns the closest atom which is a good indication of whether a model has been successfully placed.
Added a fix to a potential --skip_mr bug in the contaminant/morda search caused by the addition of the early termination MR search.