You'll have to be a bit more specific and provide a minimal test case
that illustrates which exactly is the problem. Otherwise, the only
answer is that you should take a look at pdbformat.cpp and see what
the reader does.
- Noel
On 10 April 2015 at 21:29, Stefano Forli wrote:
> Hi,
>
> I'm havin
Hi,
I'm having a few problems in creating molecules from scratch in Python (see
attached code)
My code creates a molecule by creating atoms from coordinates, elements and
bonds.
The main issue is that I get different atom types than I would get by parsing a simple PDB
created with same coordin
