diff --git a/.gitignore b/.gitignore index 3db890198..259f56351 100644 --- a/.gitignore +++ b/.gitignore @@ -55,3 +55,4 @@ Documentation/* *log *BAK *.sublime* +*.npy diff --git a/prody/proteins/interactions.py b/prody/proteins/interactions.py index dfca7a1d3..4d4123ee8 100644 --- a/prody/proteins/interactions.py +++ b/prody/proteins/interactions.py @@ -1505,7 +1505,7 @@ def calcHydrophobic(atoms, **kwargs): sele2_filter = sele2_filter.select('all and not (resname TYR PHE TRP or resid '+str(i[0])+' and chain '+i[1]+')') elif sele1_name[0] not in aromatic and i in sele2_nr: # don't include same residue interactions but don't worry about double counting pi stacking - sele2_filter = sele2_filter.select(sele2.select('all and not (resid '+str(i[0])+' and chain '+i[1]+')')) + sele2_filter = sele2_filter.select('all and not (resid '+str(i[0])+' and chain '+i[1]+')') if sele2_filter != None: listOfAtomToCompare = cleanNumbers(findNeighbors(sele1, distA, sele2_filter))