[Open Babel] Residue support in Pybel

2013-02-20 Thread Maciek Wójcikowski
Hi, I've added few lines to pybel to make life easier while working with files containing proteins, f.e. PDB structures. With this capability you could do something like that: for residue in protein.residues: print residue.name for atom in residue: print atom.name If you think

Re: [Open Babel] install on Centos 64 bits

2013-02-20 Thread Riccardo Vianello
Hi Peter, in case you really didn't want to use the python version originally provided by your distribution, make sure that the version you are using was configured at build time with --enable-shared (I think this is the likely reason for the error you reported). You might also want to consider

[Open Babel] Installation error due to zlib

2013-02-20 Thread Roy
I am trying to do a NON-root installation on RHEL Server release 5.4. The first step (cmake) works (fine i.e. -- The C compiler identification is GNU 4.1.2 -- The CXX compiler identification is GNU 4.1.2 -- Check for working C compiler: /usr/bin/cc -- Check for working C compiler: /usr/bin/cc --