The distances reported in pdb_gap are actually squared distances. I wrote the code to evaluate the square euclidean distance to avoid calculating the sqrt all the time but forgot to do it once it actually finds a gap. As a result, the numbers reported might be a bit mind-boggling for users ... (e.g. 30A become 900A).
Not critical, but I should take care of this sometime soon, also correct the unit test.
The distances reported in
pdb_gapare actually squared distances. I wrote the code to evaluate the square euclidean distance to avoid calculating the sqrt all the time but forgot to do it once it actually finds a gap. As a result, the numbers reported might be a bit mind-boggling for users ... (e.g. 30A become 900A).Not critical, but I should take care of this sometime soon, also correct the unit test.