Dear developers,
just to inform, after some reinitializations of Pymol 0.99rc6
(pre-compiled) in a same session,
I have got the message bellow (restarted the program and it was ok again).
(I don't know if its due to my Linux installation or Pymol).
Cheers,
Ricardo
Error: 3
ImportError Excep
Hi,
I also would vote for using reduce, since it is very good.
If you have to do it in pure java (ie: not calling reduce from java
somehow) then cdk would also be a good choice. A quick scan through
the api gives:
org.openscience.cdk.tools.HydrogenAdder
which "Provides methods for adding mis
You should take a look at the program Reduce from the Richardson lab at Duke,
it adds protons and is written in C++. It will take a pdb and without
requiring modification or formating add protons to it. Versions exist for
Linux, Windows, MacOS X, Irix, and Sun-SPARC, and the source code is
av
Hello everybody,
I'm currently working on a java project in which, after loading a pdb-file, I
need to add Hydrogens to the molecules.
Since Pymol has an implemented method for this problem, I'd be interested in
the algorithm used, so I can reimplement it in java. Does anybody know if there
is
