[PyMOL] how to keep the atom order when convert mol2 file to pdb in pymol

2016-08-12 Thread ABEL Stephane 175950
the atom order when convert mol2 file to pdb in pymol To: pymol-users Message-ID: <2b26344c.24a.1567f924065.coremail.chxp_m...@163.com> Content-Type: text/plain; charset="gbk" Hi, Everyone. I always using pymol to prepare the pdb files for MD simulations. Howeve

Re: [PyMOL] how to keep the atom order when convert mol2 file to pdb in pymol

2016-08-12 Thread João M . Damas
http://www.pymolwiki.org/index.php/Retain_order see if this helps João On Fri, Aug 12, 2016 at 5:25 PM, windy wrote: > Hi, > >Everyone. > >I always using pymol to prepare the pdb files for MD simulations. > However, when I merge the extra small molecular (substrate optimized from > the

[PyMOL] how to keep the atom order when convert mol2 file to pdb in pymol

2016-08-12 Thread windy
Hi, Everyone. I always using pymol to prepare the pdb files for MD simulations. However, when I merge the extra small molecular (substrate optimized from the Gaussian09, mol2 formats) and the protein file (PDB formats) into the a single pdb, I found the atom order of substrate is not the