Martin,
You can run h_add on only a specific selection.
h_add (selectAtoms)
like
# protonate the solvent/waters
h_add solvent
# protonate residue 10
h_add resi 10
Cheers,
-- Jason
On Tue, Sep 21, 2010 at 9:17 AM, Martin Hediger <ma....@bluewin.ch> wrote:
> I'm sorry, this is a bit confusing: Say the peptide looks like this:
> N-Ala-Ala-Ala-C=O. The problem arises with the hydrogen that finishes of the
> carbonyl group (of the potential peptide bond) of the last Ala, so the
> hydrogen on C=O.
>
>
>
>
>
>
> Wonderful. I'm close to completing what I need, thanks a lot.
>
> I have one other question here. Say I have a peptide:
> N-Ala-Ala-Glu-COO (I'm just pointing out the terminal amide and carbonyl
> groups). Then I protonate it with h_add
> H2N-Ala-Ala-Glu-(C=O)H. Now I carry out a mutation on the last position with
> the mutagenesis wizard to His. After this, the H's on the C=O is missing:
> H2N-Ala-Ala-His-(C=O).
>
> This is a bit unfortunate, because it would screw up the protonation of the
> whole system if I reissue h_add on the whole system after a mutation. Is it
> possible to fix atoms on only a selection, e.g. the site picked to mutate?
>
> Thanks for any advise on this.
>
> Martin
>
>
>
>
>
>
>
>
>
>
> Am 20.09.10 16:59, schrieb Jason Vertrees:
>>
>> Hi Martin,
>>
>>> atoms within less than VdW distance. Is there an easy, very low-level,
>>> PyMOL
>>> way of fixing this? Can the sculpting wizard be used for this?
>>
>> Yes, after you place the sidechain and have the new structure (via the
>> "apply" function) you can then apply sculpting. It would look
>> something like this:
>>
>> # pause the UI
>> cmd.set("suspend_updates",1)
>>
>> # reset the sphere scale
>> cmd.set("sphere_scale","1.0")
>>
>> # go back to frame 1 (if you changed it)
>> cmd.frame(1)
>>
>> # enable sculpting
>> cmd.set("sculpting",1)
>>
>> # sculpt for 100 cycles
>> cmd.sculpt_activate("myProtein")
>> cmd.set("sculpting_cycles",100)
>>
>> # resume the UI
>> cmd.set("suspend_updates",0)
>>
>> # write coords
>> cmd.sculpt_iterate("myProtein")
>>
>> #quit sculpting
>> cmd.unset("sculpting")
>>
>>
>> Load a small protein and call it "myProtein". Then, copy/paste the
>> above code into PyMOL to see what happens.
>>
>> Cheers,
>>
>> -- Jason
>>
>>
>>
>> On Mon, Sep 20, 2010 at 5:35 AM, Martin Hediger<ma....@bluewin.ch> wrote:
>>>
>>> Dear All
>>> Just one little thing, say I obtain a couple of rotamers by mutating a
>>> sidechain. It happens that some of them are sterically not favourable,
>>> i.e.
>>> atoms within less than VdW distance. Is there an easy, very low-level,
>>> PyMOL
>>> way of fixing this? Can the sculpting wizard be used for this?
>>>
>>> Thanks a lot for any suggestions.
>>>
>>> Martin
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>> Am 19.09.10 19:00, schrieb Jason Vertrees:
>>>>
>>>> Martin,
>>>>
>>>>> I am wondering, are there any scripts/ plugins for PyMOL out there that
>>>>> facilitate the generation of a large amount of rotamers for different
>>>>> mutants? I might take the effort and start building this into a plugin.
>>>>
>>>> I'm not aware of any. Some of our other seasoned PyMOLers might,
>>>> though. If you need help w/the plugin there's a simple tutorial on
>>>> the PyMOLWiki (http://www.pymolwiki.org/index.php/Plugins_Tutorial)
>>>> and TKinter/PMW are very easy to develop with. Good luck!
>>>>
>>>> Cheers,
>>>>
>>>> -- Jason
>>>>
>>>> On Sat, Sep 18, 2010 at 6:48 PM, Martin Hediger<ma....@bluewin.ch>
>>>> wrote:
>>>>>
>>>>> This is great. Thanks a lot.
>>>>> I am wondering, are there any scripts/ plugins for PyMOL out there that
>>>>> facilitate the generation of a large amount of rotamers for different
>>>>> mutants? I might take the effort and start building this into a plugin.
>>>>>
>>>>> Martin
>>>>>
>>>>>
>>>>>
>>>>>
>>>>>
>>>>>
>>>>> Am 16.09.10 19:51, schrieb Jason Vertrees:
>>>>>>
>>>>>> Hi Martin,
>>>>>>
>>>>>> This took a bit of work to figure out, but the following code solves
>>>>>> your problem (above). It will download a PDB (I coded "1RSY") and
>>>>>> select a residue (I coded 236). I will then mutate that residue to
>>>>>> all possible residues given what the rotamer library knows about, and
>>>>>> write that out to N-files called "stateXYZ.pdb", where XYZ is the
>>>>>> mutation number. Instead of rewriting the code, it turns out you can
>>>>>> hack the wizard through the API to do what you want:
>>>>>>
>>>>>> # begin a python block of code;
>>>>>> python
>>>>>> org = "1rsy"
>>>>>> cpy = "1rsy_cpy"
>>>>>>
>>>>>> # fetch a PDB
>>>>>> cmd.fetch(org, async=0)
>>>>>>
>>>>>> # make a copy on which to operate
>>>>>> cmd.create(cpy,org)
>>>>>> res = cpy + " and i. 236"
>>>>>>
>>>>>> # focus no the residue, if you want
>>>>>> cmd.zoom(res, 3)
>>>>>>
>>>>>> # start the wizard to count the number of rotamers for this residue
>>>>>> cmd.wizard("mutagenesis")
>>>>>>
>>>>>> # this was the painful part: if you just write "res" instead of
>>>>>> "(res)"
>>>>>> # pymol will delete your residue. "(res)" make it an anonymous
>>>>>> selection
>>>>>> cmd.get_wizard().do_select("("+res+")")
>>>>>> nStates = cmd.count_states("mutation")
>>>>>>
>>>>>> # foreach state, make the change and write to disk
>>>>>> for i in range(1,nStates+1):
>>>>>> print "State ", i, "/", nStates
>>>>>> cmd.get_wizard().do_select("("+res+")")
>>>>>> cmd.frame(i)
>>>>>> cmd.get_wizard().apply()
>>>>>> cmd.save("state" + str(i) + ".pdb", cpy)
>>>>>> cmd.delete(cpy)
>>>>>> cmd.create(cpy,org)
>>>>>>
>>>>>> # end the python block
>>>>>> python end
>>>>>>
>>>>>> # quit the wizard
>>>>>> cmd.set_wizard()
>>>>>>
>>>>>> Cheers,
>>>>>>
>>>>>> -- Jason
>>>>>>
>>>>>> On Tue, Sep 14, 2010 at 6:33 PM, Martin Hediger<ma....@bluewin.ch>
>>>>>> wrote:
>>>>>>>
>>>>>>> I'm beginning to see things.
>>>>>>> When I issue:
>>>>>>>
>>>>>>> for value in rot_lib[('ASP', 40, -100)]:
>>>>>>> rl.write(str(value) + '\n')
>>>>>>>
>>>>>>> rot_lib is being initiated by
>>>>>>>
>>>>>>> rot_lib =
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>> pickle.load(open("/Applications/PyMOLX11Hybrid.app/pymol/data/chempy/sidechains/sc_bb_dep.pkl",'r'))
>>>>>>>
>>>>>>>
>>>>>>> I get the following output:
>>>>>>> {('N', 'CA', 'CB', 'CG'): -169.69999999999999, 'FREQ':
>>>>>>> 0.47735699999999998,
>>>>>>> ('CA', 'CB', 'CG', 'OD1'): 3.6000000000000001}
>>>>>>> {('N', 'CA', 'CB', 'CG'): -173.5, 'FREQ': 0.19134399999999999, ('CA',
>>>>>>> 'CB',
>>>>>>> 'CG', 'OD1'): 56.799999999999997}
>>>>>>> {('N', 'CA', 'CB', 'CG'): -72.099999999999994, 'FREQ':
>>>>>>> 0.11949799999999999,
>>>>>>> ('CA', 'CB', 'CG', 'OD1'): -12.9}
>>>>>>> {('N', 'CA', 'CB', 'CG'): -167.80000000000001, 'FREQ': 0.108205,
>>>>>>> ('CA',
>>>>>>> 'CB', 'CG', 'OD1'): -55.5}
>>>>>>> {('N', 'CA', 'CB', 'CG'): -64.599999999999994, 'FREQ':
>>>>>>> 0.075302999999999995,
>>>>>>> ('CA', 'CB', 'CG', 'OD1'): -50.0}
>>>>>>> {('N', 'CA', 'CB', 'CG'): 62.399999999999999, 'FREQ': 0.013899,
>>>>>>> ('CA',
>>>>>>> 'CB',
>>>>>>> 'CG', 'OD1'): 1.3}
>>>>>>>
>>>>>>> I understand these are dictionaries containing the phi, psi values
>>>>>>> for
>>>>>>> a
>>>>>>> rotamer. Now this would mean in this case there are six rotamers for
>>>>>>> this
>>>>>>> situation. Starting to get closer to what i want.
>>>>>>> Still, if there is a easy way to get PDB files of every rotamer, that
>>>>>>> would
>>>>>>> solve my problem.
>>>>>>> So the thing left to figure out is how to find the right key for the
>>>>>>> rot_lib
>>>>>>> to give me the rotamers of the residue i am actually interested in.
>>>>>>>
>>>>>>> Thanks again for the support.
>>>>>>>
>>>>>>> Martin
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>> Am 14.09.10 01:01, schrieb Jason Vertrees:
>>>>>>>>
>>>>>>>> Hi Martin,
>>>>>>>>
>>>>>>>> Try replacing
>>>>>>>>
>>>>>>>>> (phi, psi) = cmd.phi_psi("br. first my_res")
>>>>>>>>
>>>>>>>> with
>>>>>>>>
>>>>>>>> (phi, psi) = cmd.phi_psi("br. first my_res").values()[0]
>>>>>>>>
>>>>>>>>
>>>>>>>> Here's what I have now, for the script (I fixed one more bug):
>>>>>>>> import pickle
>>>>>>>> rot_lib =
>>>>>>>>
>>>>>>>>
>>>>>>>>
>>>>>>>> pickle.load(open("/Applications/PyMOLX11Hybrid.app/pymol/data/chempy/sidechains/sc_bb_dep.pkl",'r'))
>>>>>>>> from pymol import stored
>>>>>>>> from pymol import cmd
>>>>>>>> stored.r = ''
>>>>>>>>
>>>>>>>> # What are we doing here? What is 'first'?
>>>>>>>>
>>>>>>>> cmd.iterate("first my_res", "stored.r = resn")
>>>>>>>>
>>>>>>>> (phi, psi) = cmd.phi_psi("br. first my_res").values()[0]
>>>>>>>> key = (stored.r, int(10*round(phi/10)), int(10*round(psi/10)))
>>>>>>>>
>>>>>>>> if key in rot_lib.keys():
>>>>>>>> print "This rot has %s possible positions" % len(rot_lib[key])
>>>>>>>>
>>>>>>>>
>>>>>>>>
>>>>>>>> Cheers,
>>>>>>>>
>>>>>>>> -- Jason
>>>>>>>>
>>>>>>>> On Mon, Sep 13, 2010 at 5:04 PM, Martin Hediger<ma....@bluewin.ch>
>>>>>>>> wrote:
>>>>>>>>>
>>>>>>>>> Hi Jason and PyMOL users
>>>>>>>>> I tried to run the script to get the number of rotamers, but I seem
>>>>>>>>> to
>>>>>>>>> have
>>>>>>>>> something missing.
>>>>>>>>> The script looks as follows:
>>>>>>>>>
>>>>>>>>> import pickle
>>>>>>>>> rot_lib =
>>>>>>>>>
>>>>>>>>>
>>>>>>>>>
>>>>>>>>>
>>>>>>>>> pickle.load(open("/Applications/PyMOLX11Hybrid.app/pymol/data/chempy/sidechains/sc_bb_dep.pkl",'r'))
>>>>>>>>> from pymol import stored
>>>>>>>>> from pymol import cmd
>>>>>>>>> stored.r = ''
>>>>>>>>>
>>>>>>>>> # What are we doing here? What is 'first'?
>>>>>>>>> cmd.iterate("first my_res", "stored.r = resn")
>>>>>>>>>
>>>>>>>>> (phi, psi) = cmd.phi_psi("br. first my_res")
>>>>>>>>> key = (stored.r, int(10*round(ph/10)), int(10*round(psi/10)))
>>>>>>>>> if key in rot_lib.keys():
>>>>>>>>> print "This rot has %s possible positions" % len(rot_lib[key])
>>>>>>>>>
>>>>>>>>> Now, I save this into rotlib.py, 'cd' PyMOL into the directory
>>>>>>>>> where
>>>>>>>>> this
>>>>>>>>> script lies, select a residue from the GUI, rename the selection to
>>>>>>>>> 'my_res'
>>>>>>>>> and then 'run rotlib.py' the script. This returns the following
>>>>>>>>> ERROR
>>>>>>>>> message in PyMOL:
>>>>>>>>>
>>>>>>>>> Traceback ...
>>>>>>>>> (phi, psi) = cmd.phi_psi("br. first my_res")
>>>>>>>>> ValueError: need more than 0 values to unpack
>>>>>>>>>
>>>>>>>>> Unfortunately, I dont understand what this is trying to tell me
>>>>>>>>> right
>>>>>>>>> now,
>>>>>>>>> ok, some Argument seems to be missing, but I cant tell what
>>>>>>>>> exactly.
>>>>>>>>> Also,
>>>>>>>>> could you possibly extend your explanation on what the 'iterate'
>>>>>>>>> method
>>>>>>>>> is
>>>>>>>>> used for. I think this would help me a lot.
>>>>>>>>>
>>>>>>>>> As I said, all I want is a PDB file for every rotamer itself. If
>>>>>>>>> there
>>>>>>>>> is
>>>>>>>>> a
>>>>>>>>> simpler way to achieve this, that is fine with me. The number of
>>>>>>>>> rotamers
>>>>>>>>> is
>>>>>>>>> only important to me, since I need to know how many times i should
>>>>>>>>> issue
>>>>>>>>> 'cmd.forward()' and save.
>>>>>>>>>
>>>>>>>>> Thanks for the help.
>>>>>>>>> Martin
>>>>>>>>>
>>>>>>>>>
>>>>>>>>>
>>>>>>>>> Am 13.09.10 00:30, schrieb Jason Vertrees:
>>>>>>>>>>
>>>>>>>>>> Hi Martin,
>>>>>>>>>>
>>>>>>>>>>> iterate first my_res, stored.r = resn
>>>>>>>>>>
>>>>>>>>>> is syntactically correct, but could also be written,
>>>>>>>>>>
>>>>>>>>>> cmd.iterate("first my_res", "stored.r = resn");
>>>>>>>>>>
>>>>>>>>>> The command could be read as, "iterate over just first atom from
>>>>>>>>>> the
>>>>>>>>>> selection called 'my_res' and place the residue name in which that
>>>>>>>>>> atom resides into 'stored.r'." So, "first" is a new-ish selection
>>>>>>>>>> modifier that takes just the first atom from a selection. It's
>>>>>>>>>> _very_
>>>>>>>>>> handy: why iterate through all atoms in a residue to get a residue
>>>>>>>>>> name, when just the first will do? "resn" indeed returns the
>>>>>>>>>> 3-letter
>>>>>>>>>> residue code.
>>>>>>>>>>
>>>>>>>>>> A more efficient way might be:
>>>>>>>>>>
>>>>>>>>>> # select a residue, here #50 (or use the mouse)
>>>>>>>>>> select mySelection, i. 50
>>>>>>>>>>
>>>>>>>>>> # get it's one-letter residue id
>>>>>>>>>> print string.split(cmd.get_fastastr("mySelection"),'\n')[1]
>>>>>>>>>> # get it's three-letter residue id
>>>>>>>>>> print
>>>>>>>>>>
>>>>>>>>>> three_letter[string.split(cmd.get_fastastr("mySelection"),'\n')[1]]
>>>>>>>>>>
>>>>>>>>>> I just posted this on http://www.pymolwiki.org/index.php/Aa_codes.
>>>>>>>>>> (You will need the two dictionaries found there.)
>>>>>>>>>>
>>>>>>>>>> There really should be a much easier way to do that... Maybe
>>>>>>>>>> someone
>>>>>>>>>> has a far easier command?
>>>>>>>>>>
>>>>>>>>>> Cheers,
>>>>>>>>>>
>>>>>>>>>> -- Jason
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>> On Sun, Sep 12, 2010 at 4:25 PM, Martin Hediger<ma....@bluewin.ch>
>>>>>>>>>> wrote:
>>>>>>>>>>>
>>>>>>>>>>> Hi Jason, thanks for the comprehensive answer.
>>>>>>>>>>> One question though, is the line
>>>>>>>>>>>
>>>>>>>>>>> iterate first my_res, stored.r = resn
>>>>>>>>>>>
>>>>>>>>>>>
>>>>>>>>>>>
>>>>>>>>>>> correct this way? Are there no braces or quotation marks needed?
>>>>>>>>>>> Its
>>>>>>>>>>> not
>>>>>>>>>>> perfectly clear to me if 'first' and 'my_res' are selections
>>>>>>>>>>> (indicated
>>>>>>>>>>> by
>>>>>>>>>>> braces) or objects (name without braces in the main window).
>>>>>>>>>>> I understand 'resn' is something like 'GLU', if I want to know
>>>>>>>>>>> how
>>>>>>>>>>> many
>>>>>>>>>>> GLU
>>>>>>>>>>> rotamers are in the library.
>>>>>>>>>>>
>>>>>>>>>>> Thanks again
>>>>>>>>>>> Martin
>>>>>>>>>>>
>>>>>>>>>>>
>>>>>>>>>>>
>>>>>>>>>>>
>>>>>>>>>>> Am 12.09.10 22:00, schrieb Jason Vertrees:
>>>>>>>>>>>>
>>>>>>>>>>>> Hi Martin,
>>>>>>>>>>>>
>>>>>>>>>>>> PyMOL first searches the Dunbrack rotamer library for hits based
>>>>>>>>>>>> upon
>>>>>>>>>>>> the amino acid type and it's original phi/psi angles. If it
>>>>>>>>>>>> cannot
>>>>>>>>>>>> find a hit, it will then look for backbone independent
>>>>>>>>>>>> positions.
>>>>>>>>>>>> To
>>>>>>>>>>>> get the number of available rotamers given a residue, you need
>>>>>>>>>>>> to
>>>>>>>>>>>> unpickle the library, create the lookup key into the library and
>>>>>>>>>>>> then
>>>>>>>>>>>> count the results. It might look something like this:
>>>>>>>>>>>>
>>>>>>>>>>>> # unpickle the library
>>>>>>>>>>>> import pickle
>>>>>>>>>>>> rot_lib =
>>>>>>>>>>>>
>>>>>>>>>>>>
>>>>>>>>>>>>
>>>>>>>>>>>>
>>>>>>>>>>>>
>>>>>>>>>>>> pickle.load(open("$PYMOL_HOME/data/chempy/sidechains/sc_bb_dep.pkl",'r'))
>>>>>>>>>>>>
>>>>>>>>>>>> # get residue name, you need to select the residue
>>>>>>>>>>>> # into "my_res"
>>>>>>>>>>>> from pymol import stored
>>>>>>>>>>>> stored.r = ''
>>>>>>>>>>>> iterate first my_res, stored.r = resn
>>>>>>>>>>>>
>>>>>>>>>>>> # get residue info; prepare dictionary key
>>>>>>>>>>>> (phi,psi) = cmd.phi_psi("br. first my_res")
>>>>>>>>>>>>
>>>>>>>>>>>> # warren also does 20 and 60 in place of 10--three possible
>>>>>>>>>>>> lookups
>>>>>>>>>>>> key = ( stored.r, int(10*round(phi/10)), int(10*round(psi/10)))
>>>>>>>>>>>>
>>>>>>>>>>>> if key in rot_lib.keys():
>>>>>>>>>>>> print "This rotamer has %s possible positions" %
>>>>>>>>>>>> len(rot_lib[key])
>>>>>>>>>>>>
>>>>>>>>>>>> Lookups in the independent library are easier--just provide a
>>>>>>>>>>>> residue
>>>>>>>>>>>> name.
>>>>>>>>>>>>
>>>>>>>>>>>> Cheers,
>>>>>>>>>>>>
>>>>>>>>>>>> -- Jason
>>>>>>>>>>>>
>>>>>>>>>>>>
>>>>>>>>>>>> On Sun, Sep 12, 2010 at 11:04 AM, Martin
>>>>>>>>>>>> Hediger<ma....@bluewin.ch>
>>>>>>>>>>>> wrote:
>>>>>>>>>>>>>
>>>>>>>>>>>>> Dear all, let me rephrase my question in a less confusing way.
>>>>>>>>>>>>> For a given mutant, I need a PDB file for every available
>>>>>>>>>>>>> rotamer.
>>>>>>>>>>>>> I
>>>>>>>>>>>>> guess thats the simplest way of putting it. How can I achieve
>>>>>>>>>>>>> that?
>>>>>>>>>>>>>
>>>>>>>>>>>>> Thanks for hints.
>>>>>>>>>>>>> Martin
>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>> Am 12.09.10 00:08, schrieb Martin Hediger:
>>>>>>>>>>>>>>
>>>>>>>>>>>>>> Hi all
>>>>>>>>>>>>>> I want to do some scripted mutations on a range of residues.
>>>>>>>>>>>>>> Say
>>>>>>>>>>>>>> I
>>>>>>>>>>>>>> want
>>>>>>>>>>>>>> to mutate residue 189 to every rotamer of [Asp, His, Glu, Thr,
>>>>>>>>>>>>>> Lys]
>>>>>>>>>>>>>> available in the PyMOL internal rotamer library. I'm seeing
>>>>>>>>>>>>>> that
>>>>>>>>>>>>>> PyMOL
>>>>>>>>>>>>>> issues cmd.get_wizard().do_state(i) to select rotamer 'i' for
>>>>>>>>>>>>>> a
>>>>>>>>>>>>>> mutation. Now, if I want to iterate over all available
>>>>>>>>>>>>>> rotamers,
>>>>>>>>>>>>>> I
>>>>>>>>>>>>>> need
>>>>>>>>>>>>>> the limit rotamer number. How can I obtain the maximum number
>>>>>>>>>>>>>> of
>>>>>>>>>>>>>> rotamers available for every amino acid?
>>>>>>>>>>>>>>
>>>>>>>>>>>>>> Thanks for hints on this
>>>>>>>>>>>>>>
>>>>>>>>>>>>>> Martin
>>>>>>>>>>>>>>
>>>>>>>>>>>>>>
>>>>>>>>>>>>>>
>>>>>>>>>>>>>>
>>>>>>>>>>>>>>
>>>>>>>>>>>>>>
>>>>>>>>>>>>>>
>>>>>>>>>>>>>> ------------------------------------------------------------------------------
>>>>>>>>>>>>>> Start uncovering the many advantages of virtual appliances
>>>>>>>>>>>>>> and start using them to simplify application deployment and
>>>>>>>>>>>>>> accelerate your shift to cloud computing
>>>>>>>>>>>>>> http://p.sf.net/sfu/novell-sfdev2dev
>>>>>>>>>>>>>> _______________________________________________
>>>>>>>>>>>>>> PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
>>>>>>>>>>>>>> Info Page:
>>>>>>>>>>>>>> https://lists.sourceforge.net/lists/listinfo/pymol-users
>>>>>>>>>>>>>> Archives:
>>>>>>>>>>>>>> http://www.mail-archive.com/pymol-users@lists.sourceforge.net
>>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>>
>>>>>>>>>>>>> ------------------------------------------------------------------------------
>>>>>>>>>>>>> Start uncovering the many advantages of virtual appliances
>>>>>>>>>>>>> and start using them to simplify application deployment and
>>>>>>>>>>>>> accelerate your shift to cloud computing
>>>>>>>>>>>>> http://p.sf.net/sfu/novell-sfdev2dev
>>>>>>>>>>>>> _______________________________________________
>>>>>>>>>>>>> PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
>>>>>>>>>>>>> Info Page:
>>>>>>>>>>>>> https://lists.sourceforge.net/lists/listinfo/pymol-users
>>>>>>>>>>>>> Archives:
>>>>>>>>>>>>> http://www.mail-archive.com/pymol-users@lists.sourceforge.net
>>>>>>>>>>>>>
>>>>
>>>
>>
>>
>
>
--
Jason Vertrees, PhD
PyMOL Product Manager
Schrodinger, LLC
(e) jason.vertr...@schrodinger.com
(o) +1 (603) 374-7120
------------------------------------------------------------------------------
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