Hi Wolfram,
Yes, mmCIF has been suggested to PDB2PQR developers, see:
https://github.com/Electrostatics/apbs-pdb2pqr/issues/471
Cheers,
Thomas
> On Dec 7, 2017, at 8:06 PM, wtempel wrote:
>
> Thomas,
> how did you know? I removed the --whitespace switch, and get a meaningful
> model display
Thomas,
how did you know? I removed the --whitespace switch, and get a meaningful
model displayed in PyMOL. Has the mmcif format been suggested to the
PDB2PQR developers?
Many thanks.
Wolfram
On Thu, Dec 7, 2017 at 3:01 AM, Thomas Holder wrote:
> Hi Wolfram,
>
> Do you run pdb2pqr with the --whi
Hi Wolfram,
Do you run pdb2pqr with the --whitespace option? If yes, remove that and see if
PyMOL is happy with the output.
Some versions of PyMOL's APBS Tools plugin have the --whitespace option by
default (first page, "pdb2pqr command line options") but it seems that this
flag creates about
Hello,
loading a pqr (PDB2PQR version 2.1.1) file into pymol 1.7 … 1.9 garbles the
model in some systematic way, whereas PDB2PQR version 1.8 output appears to
be displayed correctly. After superficial inspection I concluded that in
2.1.1 output, columns from (and including) the atom number appear t
