Re: [PyMOL] add polar/aromatic hydrogen

2011-09-06 Thread lina
On Wed, Sep 7, 2011 at 12:02 AM, Thomas Holder wrote: > Hi Lina, > >> Hope you won't mind this email sent to you directly. > > not at all, that made it finally clear what you actually want! > >> Here I attached the pdb, >> >> which I want to add the aromatic H, >> >> The cur_1.pdb:  only polar H w

Re: [PyMOL] add polar/aromatic hydrogen

2011-09-06 Thread Thomas Holder
Hi Lina, > Hope you won't mind this email sent to you directly. not at all, that made it finally clear what you actually want! > Here I attached the pdb, > > which I want to add the aromatic H, > > The cur_1.pdb: only polar H was added. > > while cur_11.pdb I used h_add (selection of aromatic a

Re: [PyMOL] add polar/aromatic hydrogen

2011-09-06 Thread lina
On Tue, Sep 6, 2011 at 4:27 PM, Thomas Holder wrote: > Hi lina, > > to add polar hydrogens, try this: > > h_add acceptors or donors Thanks. it works for selections, what if when I use h_add selections I only want to add one H, not two H How can I achieve this. Thanks again. > > I don't know i

Re: [PyMOL] add polar/aromatic hydrogen

2011-09-06 Thread lina
On Tue, Sep 6, 2011 at 4:27 PM, Thomas Holder wrote: > Hi lina, > > to add polar hydrogens, try this: > > h_add acceptors or donors Thanks, in my situation, is it possible to add hydrogens (polar) one in whole protein, not consider acceptors or donors, > > I don't know if it's possible to selec

Re: [PyMOL] add polar/aromatic hydrogen

2011-09-06 Thread Thomas Holder
Hi lina, to add polar hydrogens, try this: h_add acceptors or donors I don't know if it's possible to select aromatic atoms in PyMOL. Cheers, Thomas On 09/06/2011 09:12 AM, lina wrote: > Hi, > > How to add polar/aromaic hydrogen's quickly? > > in A-->hydrogen -- only add all hydrogen, > > t

[PyMOL] add polar/aromatic hydrogen

2011-09-06 Thread lina
Hi, How to add polar/aromaic hydrogen's quickly? in A-->hydrogen -- only add all hydrogen, thanks for any suggestions, -- Best Regards, lina -- Special Offer -- Download ArcSight Logger for FREE! Finally, a world-cl