I have tried to apply your program to several kind of proteins (directly downloaded from the PDB) and the same error raises once and again. I would really appreciate your help.
dabble -i outward_state_n.pdb -o outward_membrane.prmtop -ff charmm36m
Solvent patch dimensions are 44.47 x 44.47 x 210.87
Loading and orienting the solute...
Computing the size of the input periodic cell...
Solute x diameter is 56.08 (57.03 in TM region)
Solute y diameter is 45.56 (42.49 in TM region)
Solute + membrane Z diameter is 60.01
Final system will be 96.08 x 85.56 x 100.56
X,Y solvent buffer: (40.0, 40.0)
X,Y transmembrane buffer: (39.1, 43.1)
Z solvent buffer: 40.5
Tiling solvent...
Traceback (most recent call last):
File "/home/lroldan/miniconda3/envs/membranes/bin/dabble", line 228, in <module>
builder.write()
File "/home/lroldan/miniconda3/envs/membranes/lib/python3.6/site-packages/Dabble/builder.py", line 242, in write
final_id = self._build()
File "/home/lroldan/miniconda3/envs/membranes/lib/python3.6/site-packages/Dabble/builder.py", line 162, in _build
allow_z_tile=self.water_only)
File "/home/lroldan/miniconda3/envs/membranes/lib/python3.6/site-packages/Dabble/builder.py", line 1088, in tile_membrane_patch
tmp_dir=tmp_dir)
File "/home/lroldan/miniconda3/envs/membranes/lib/python3.6/site-packages/Dabble/molutils.py", line 446, in tile_system
atomsel('all', molid=input_id).set('resid', new_resid)
ValueError: sequence passed to set contains the wrong type of data (integer, float, or str)