Look at Phenix clashcore to see which Probe command-line arguments it uses

ReliaSolve / Molprobity2

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Look at Phenix clashcore to see which Probe command-line arguments it uses #109

Closed russell-taylor closed 3 years ago

russell-taylor commented 3 years ago

Also clathscore

russell-taylor commented 3 years ago

Let Ken know so that he can know which arguments to support initially.

russell-taylor commented 3 years ago

It can use the -nuclear -CON -u -q -mc -het -once -NODVWOUT -dumpatominfo flags. It can also use patterns "ogtN not water -" for some N and "bltN ogtM not water" for some M and N.

It provides output for clashcore and coot.