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The occupancy and temFactor could report error 'could not convert string to float' when there is blank.
Suggest to change like this:
occupancy=[0.0 if line[54:60].strip()=='' else float(line[54:60])],
tempFactor=[0.0 if line[60:66].strip()=='' else float(line[60:66])],
The text was updated successfully, but these errors were encountered:
CryoSky
changed the title
Occupancy
Occupancy read error when there is blank
Apr 20, 2020
open3spn2/open3SPN2/ff3SPN2.py
Lines 468 to 469 in fc5c4cf
The occupancy and temFactor could report error 'could not convert string to float' when there is blank.
Suggest to change like this:
occupancy=[0.0 if line[54:60].strip()=='' else float(line[54:60])],
tempFactor=[0.0 if line[60:66].strip()=='' else float(line[60:66])],
The text was updated successfully, but these errors were encountered: