Re: [PyMOL] Water problem

2002-05-26 Thread kkliang
Dear Warren, Thanks for the message and thanks for the pymol program. It is one of the most interesting programs that I worked with. I tried to make all of the atoms in the waters HETATM, and after all of the records of the atoms, I put CONECT for all of the water molecules. In the Win version, I

Re: [PyMOL] Water problem

2002-05-26 Thread Warren L. DeLano
On Sun, 26 May 2002 kkli...@gate.sinica.edu.tw wrote: > Now the problem is, when I tried to load some of the PDB files > into a movie, pymol will link the water molecules wrongly. > Some oxygen atoms are linked to more than two hydrogens. > What's more, I tested the data both on the Windows versi

[PyMOL] Water problem

2002-05-26 Thread kkliang
Dear pymolers, I have to study the outcome from our MD calculations on a protein surrounded by about 1700 water molecules. There are 12000 such PDB files, each for one specific moment of time. Now the problem is, when I tried to load some of the PDB files into a movie, pymol will link the water m