[PyMOL] "Qt not available" error from compilation with python2 but not python3

2019-09-13 Thread sunyeping via PyMOL-users
dear all, I am trying to compile pymol from source (https://github.com/schrodinger/pymol-open-source.git). Python 3 and python 2 both have been installed in my system. I first tried compile pymol with python 3 python3 setup.py install --prefix=~/pymol-install-py3 It can work. python3 setu

[PyMOL] APBS TOOLS 2.1 does not work

2019-09-13 Thread sunyeping via PyMOL-users
Dear all, I am trying to use APBS TOOLs 2.1 to calculate electrostatic potential of proteins. After I finish "set grid", I press the "set grid" button, I get the following error, (, ImportError('No module named pdb2pqr',), ) In show error 2 Could you tell what is the cause of the error and h

Re: [PyMOL] PyMol: incomplete replacement of b- and q-factors

2019-09-13 Thread Thomas Holder
Hi Joe, There can be atoms without coordinates. In particular, when loading mmCIF files, PyMOL fills in dummy-CA atoms for missing residues, to provide a complete sequence display in the sequence viewer. "alter" iterates over all atoms, including those without coordinates. "iterate_state" only