small readme update, fix db creation from lists/sqla

Author: eloyfelix

FPSim2/io/FPSim2_io.py

@@ -226,7 +226,7 @@ def it_supplier(io_source, gen_ids, **kwargs):
                     raise Exception('FPSim only supports integer ids for molecules, '
                                     'cosinder setting gen_ids=True when running '
                                     'create_db_file to autogenerate them.')
-                mol_string = mol[0].strip()
+                mol_string = mol[0]
         rdmol = load_molecule(mol_string)
         if rdmol:
             yield mol_id, rdmol

README.md

@@ -44,7 +44,7 @@ conda install -c efelix fpsim2
 ### Create FP file
 
 ```python
-from FPSim2 import create_db_file
+from FPSim2.io import create_db_file
 
 # from .smi file
 create_db_file('chembl.smi', 'chembl.h5', 'Morgan', {'radius': 2, 'nBits': 2048})
@@ -97,7 +97,7 @@ In case RDKit is not able to load a molecule, the id assigned to the molecule wi
 ```python
 from FPSim2 import FPSim2Engine
 
-fp_filename = 'chembl_24.h5'
+fp_filename = 'chembl_25.h5'
 query = 'CC(=O)Oc1ccccc1C(=O)O'
 
 fpe = FPSim2Engine(fp_filename)
@@ -114,7 +114,7 @@ If you're searching against a huge dataset or you have small RAM, you can still
 ```python
 from FPSim2 import FPSim2Engine
 
-fp_filename = 'chembl_24.h5'
+fp_filename = 'chembl_25.h5'
 query = 'CC(=O)Oc1ccccc1C(=O)O'
 
 fpe = FPSim2Engine(fp_filename, in_memory_fps=False)