character justification of element names could be more flexible?

[natedey]

Lines 41-44 of read_write_pdb.py:
try:
elsymbol = line[76:78]
except:
elsymbol = ''

might be problematic if characters are not properly right justified.
While right justified is the required format, RINRUS breaks if the characters are left justified, even if in the right fields.

I think
C
C
Cl

should work the same as
C
C
Cl

even if it doesn't strictly adhere to PDB formatting.
I don't understand why the code is misbehaving for the former situation...

[tsantaloci]

I don't see a difference between your two examples?

[natedey]

hah yeah that didn't work right, did it?
first example misbehaves with
one letter characters on space 77, two letter characters on spaces 77 and 78
second example works with
one letter characters on space 78, two letter characters on spaces 77 and 78
I'll upload the two different pdbs later today

[natedey]

pdb issues.zip
Run RINRUS with the PDB files included and the same driver input file below:
driver_input_example.txt