Hi,
Check out the lifetime command in cpptraj, which can be used in conjuction
with 'hbond series' to get you something along these lines. There
are several recent discussions on hbond/lifetime commands in the Amber
mailing list archive.
-Dan
On Wednesday, February 25, 2015, James Starlight <jmsstarlight.gmail.com
<javascript:_e(%7B%7D,'cvml','jmsstarlight.gmail.com');>> wrote:
> Dear all!
>
> One extra question regarding analysis of the internal protein's hydration.
> Is it possible to gain some insight about kinetics properties (for instance
> to estimate residence time of the individual water molecules detected
> within the protein) of the water flux during simulation? For my particular
> case I've obtained visualization of the water density within the protein
> using grid tool in several systems (which differs in the ligand bound to
> the protein for instance) and know would like to see how the water flux
> could be altered in each of the systems focused on its kinetics as one of
> the possibility.
>
> Thanks for suggestions,
>
> James
>
> 2015-02-13 10:50 GMT+01:00 James Starlight <jmsstarlight.gmail.com>:
>
> > Hi Dan,
> >
> > thanks alot! Not it's works too.
> > The question is only how it would be better for the visualization in my
> > particular case. Using the below script I obtained grid:
> >
> > # focus on some area of interest
> > center :272 mass origin
> > image origin center
> >
> > #make rmsf fit if it's nessesary
> > #rms first mass out rms-grid :1-289
> > trajout md_apo_fit.dcd dcd first last 10 nobox
> > # calculate grid for the water
> > grid test.xplor 83.057938 0.5 36.727116 0.5 78.433228 0.5 :WAT.O*
> >
> > where grid dimensions have been obtained by bonds:
> >
> > ACTION OUTPUT:
> > 4.804949 < X < 83.057938
> > 0.951227 < Y < 36.727116
> > 42.903404 < Z < 78.433228
> > GRID: grid max is 328.000
> >
> > now in VMD it's visually looks like the red slice around of the protein
> > (with the pereodicity in +Z and -Y!) which include some lipids (!)
> > besides the water so it seems fully correct for me :)
> >
> > Gleb
> >
> > 2015-02-12 16:59 GMT+01:00 Daniel Roe <daniel.r.roe.gmail.com>:
> >
> >> On Tue, Feb 10, 2015 at 11:36 AM, James Starlight
> >> <jmsstarlight.gmail.com> wrote:
> >> > BTW I also noticed that amber14 has different output format for for
> grid
> >> > which has not been recognized as the XPLOR by VMD. How it could be
> >> loaded
> >> > for the visualization?
> >>
> >> The .dat extension is generic, so cpptraj defaults to a generic output
> >> format when that is specified. If you want XPLOR you need to provide a
> >> file name extension that cpptraj recognizes as XPLOR (.grid or .xplor)
> >> or explicitly write out the grid data with 'writedata' and the 'xplor'
> >> keyword.
> >>
> >> -Dan
> >>
> >> >
> >> > # GRID_00001
> >> > 1.000 1.000 1.000 31.0000
> >> > 2.000 1.000 1.000 33.0000
> >> > 3.000 1.000 1.000 50.0000
> >> > 4.000 1.000 1.000 39.0000
> >> > 5.000 1.000 1.000 43.0000
> >> > 6.000 1.000 1.000 47.0000
> >> > 7.000 1.000 1.000 41.0000
> >> > 8.000 1.000 1.000 48.0000
> >> > 9.000 1.000 1.000 57.0000
> >> > 10.000 1.000 1.000 66.0000
> >> > 11.000 1.000 1.000 59.0000
> >> >
> >> > James
> >> >
> >> > 2015-02-10 18:23 GMT+01:00 James Starlight <jmsstarlight.gmail.com>:
> >> >
> >> >> Hi Dan,
> >> >>
> >> >> Thanks for ideas again! Here what I've done:
> >> >>
> >> >> 1) firstly below is my leap script for the visualization of water
> >> density
> >> >> using grid (still in amber tools 12)
> >> >>
> >> >> # focus on some area of interest- ligand within the receptor's cavirt
> >> >> center :290 mass origin
> >> >> image origin center
> >> >>
> >> >> #make rmsf fit
> >> >> rms first mass out rms-grid :4-9,16-21
> >> >> grid test.dat 100 0.5 100 0.5 100 0.5 :WAT.O*
> >> >>
> >> >>
> >> >> 2)now when I load it to the VMD I didn't see any visualization of
> >> water
> >> >> density although all data has been loaded correctly. Should I switch
> >> some
> >> >> option in VMD for that?
> >> >>
> >> >> vmd > edmplugin) EOF sentinel != -9999
> >> >> Info) Analyzing Volume...
> >> >> Info) Grid size: 100x100x100 (15 MB)
> >> >> Info) Total voxels: 1000000
> >> >> Info) Min: 0.000000 Max: 639.000000 Range: 639.000000
> >> >> Info) Computing volume gradient map for smooth shading
> >> >> Info) Added volume data, name=test.dat : X-PLOR Electron Density Map
> >> >>
> >> >> 3) Is it possible to compare density from several trajectories using
> >> some
> >> >> numerical data besides of the visualization?
> >> >>
> >> >> James
> >> >>
> >> >>
> >> >> 2015-02-10 15:43 GMT+01:00 Daniel Roe <daniel.r.roe.gmail.com>:
> >> >>
> >> >>> On Tue, Feb 10, 2015 at 5:58 AM, James Starlight <
> >> jmsstarlight.gmail.com>
> >> >>> wrote:
> >> >>> > Warning: AMBERHOME [None] differs from expected
> >> [/+SOFTWARE/amber12].
> >> >>> > No changes will be made until this is fixed
> >> >>> > SetupError: Making changes has been disabled because AMBERHOME is
> >> not
> >> >>> set
> >> >>> > correctly or the updater has been moved from AMBERHOME.
> >> >>> >
> >> >>> > should I remove ambertools folder explicitly from the AMBERHOME
> and
> >> >>> install
> >> >>> > AmberTools14 from the source?
> >> >>>
> >> >>> Unless you're hurting for space, you can just extract the AmberTools
> >> >>> 14 tarball in a separate directory and set AMBERHOME to that. Since
> >> >>> pmemd is the only non-free program in Amber 14 (and does not need
> >> >>> AMBERHOME set I believe) you can then leave AMBERHOME set to your
> >> >>> AmberTools 14 directory. See Jason Swails page for more detailed
> >> >>> instructions on installing Amber: http://jswails.wikidot.com/#toc10
> >> >>>
> >> >>> > 2) Using GRID from amber-tools-12 I've obtained several output.dat
> >> files
> >> >>> > for each of the system under analysis - each of whicvh is looks
> like
> >> >>> >
> >> >>> > This line is ignored
> >> >>> > 1
> >> >>> > rdparm generated grid density
> >> >>> > how it would be better to compare it using some visualization in
> >> VMD for
> >> >>> > instance?
> >> >>>
> >> >>> This format is XPLOR density, which VMD can read.
> >> >>>
> >> >>> -Dan
> >> >>>
> >> >>> >
> >> >>> >
> >> >>> >
> >> >>> > 2015-02-06 18:52 GMT+01:00 Daniel Roe <daniel.r.roe.gmail.com>:
> >> >>> >
> >> >>> >> > I think multhist has not been included yet to the amber-12
> which
> >> I'm
> >> >>> >> using
> >> >>> >>
> >> >>> >> I highly recommend upgrading to AmberTools 14, which is free. It
> >> >>> >> includes many updates and enhancements over Amber 12, which is
> >> several
> >> >>> >> years old at this point.
> >> >>> >>
> >> >>> >> On Fri, Feb 6, 2015 at 2:05 AM, James Starlight <
> >> >>> jmsstarlight.gmail.com>
> >> >>> >> wrote:
> >> >>> >> >
> >> >>> >> > [reference ./protein.pdb]
> >> >>> >> > Error: ./protein.pdb: No frames read. atom=4542 expected 46488.
> >> >>> >>
> >> >>> >> Cpptraj requires topology information to load coordinates, or to
> >> put
> >> >>> >> it another way there must be a 'parm' that can be used with any
> >> given
> >> >>> >> 'trajin'. So what you really want is something like:
> >> >>> >>
> >> >>> >> parm ../protein.pdb [REFPARM]
> >> >>> >> reference ../protein.pdb parm [REFPARM]
> >> >>> >>
> >> >>> >> Even though 'protein.pdb' contains both topology and coordinate
> >> >>> >> information, cpptraj doesn't assume you want to use them
> together,
> >> the
> >> >>> >> reason being that you may want to e.g. use that PDB file with a
> >> >>> >> matching Amber topology file (to get things like bonds, charges,
> >> etc).
> >> >>> >>
> >> >>> >> > (2)
> >> >>> >> > # here I chose grid dimensions from the XYX of the box vectors
> >> >>> proding
> >> >>> >> mask
> >> >>> >> > of the solvent
> >> >>> >> > grid grid.dat 60 1 80 1 100 1 :WAT.O*
> >> >>> >> >
> >> >>> >> > 1- should I add something else to this conditions in case of my
> >> task?
> >> >>> >> > 2- How it would be better to compare several grid.dat output
> >> files
> >> >>> >> produced
> >> >>> >> > for several trajectories?
> >> >>> >>
> >> >>> >> You may want to just focus your grid around the molecule of
> >> interest
> >> >>> >> (in your case I think it was :MOL). The simplest way to do that
> in
> >> my
> >> >>> >> opinion is to upgrade to cpptraj from AmberTools 14 and use the
> >> >>> >> 'bounds' command, which will provide minimum and maximum XYZ
> values
> >> >>> >> for a selection of atoms that you can then use to create a grid.
> >> Also,
> >> >>> >> for something like this its probably best to make sure your
> >> molecule
> >> >>> >> of interest and the grid itself are centered at the origin. See
> the
> >> >>> >> manual for relevant keywords.
> >> >>> >>
> >> >>> >> Hope this helps,
> >> >>> >>
> >> >>> >> -Dan
> >> >>> >>
> >> >>> >> >
> >> >>> >> >
> >> >>> >> > James
> >> >>> >> >
> >> >>> >> > 2015-02-06 9:23 GMT+01:00 James Starlight <
> >> jmsstarlight.gmail.com>:
> >> >>> >> >
> >> >>> >> >> Thanks Dan,
> >> >>> >> >>
> >> >>> >> >> I think multhist has not been included yet to the amber-12
> >> which I'm
> >> >>> >> using
> >> >>> >> >>
> >> >>> >> >> ...
> >> >>> >> >> INPUT: Reading Input from file water.in
> >> >>> >> >> [parm ./top_all/7D4-androsta.top]
> >> >>> >> >> [trajin ./tr_all/7D4-androsta.mdcrd]
> >> >>> >> >> [7D4-androsta.mdcrd] contains 5191 frames.
> >> >>> >> >> [watershell :104 W1_apo_DRY.dat :WAT.O* lower 3 upper 5]
> >> >>> >> >> [multihist W1[*] out W1.hist.agr bins 50]
> >> >>> >> >> Warning: Unknown Command multihist.
> >> >>> >> >>
> >> >>> >> >>
> >> >>> >> >> James
> >> >>> >> >>
> >> >>> >> >> 2015-02-05 17:06 GMT+01:00 Daniel Roe <daniel.r.roe.gmail.com
> >:
> >> >>> >> >>
> >> >>> >> >>> The 'grid' command will allow you to calculate water
> occupancy
> >> (not
> >> >>> >> >>> yet normalized, although this option is in the next cpptraj
> >> >>> release)
> >> >>> >> >>> which you can compare between different simulations. However,
> >> it's
> >> >>> >> >>> probably best to rms-fit the solute (i.e. the protein, not
> the
> >> >>> ligand)
> >> >>> >> >>> to a common reference prior to 'grid' to remove
> >> >>> rotation/translation
> >> >>> >> >>> of the solute. In other words, you want to view water
> occupancy
> >> >>> with
> >> >>> >> >>> your protein as the frame of reference.
> >> >>> >> >>>
> >> >>> >> >>> -Dan
> >> >>> >> >>>
> >> >>> >> >>> On Thu, Feb 5, 2015 at 2:24 AM, James Starlight <
> >> >>> >> jmsstarlight.gmail.com>
> >> >>> >> >>> wrote:
> >> >>> >> >>> > (+) How do you think will it be better to use grid command
> >> (in
> >> >>> >> >>> comparison
> >> >>> >> >>> > to watershell) from the cpptraj to compare probability of
> >> the
> >> >>> water
> >> >>> >> >>> > distribution throughout the protein interior during several
> >> md
> >> >>> >> runs? In
> >> >>> >> >>> > general watershell gave me satisfied results but I'd like
> to
> >> >>> obtain
> >> >>> >> more
> >> >>> >> >>> > statistical-relevant distribution avoiding with the
> choosing
> >> of
> >> >>> >> proper
> >> >>> >> >>> > cut-offs.
> >> >>> >> >>> >
> >> >>> >> >>> > James
> >> >>> >> >>> >
> >> >>> >> >>> > 2015-02-04 10:30 GMT+01:00 James Starlight <
> >> >>> jmsstarlight.gmail.com>:
> >> >>> >> >>> >
> >> >>> >> >>> >> Could you also provide me with the link where is possible
> to
> >> >>> >> download
> >> >>> >> >>> >> multhist tool? As I realize it might be some python script
> >> >>> which I
> >> >>> >> had
> >> >>> >> >>> not
> >> >>> >> >>> >> find in my amber12. IS it possible to plot such multiple
> >> graph
> >> >>> >> values
> >> >>> >> >>> >> agains time prolongation using xmgrace?
> >> >>> >> >>> >>
> >> >>> >> >>> >> Thanks,
> >> >>> >> >>> >>
> >> >>> >> >>> >> James
> >> >>> >> >>> >>
> >> >>> >> >>> >> 2015-02-03 17:38 GMT+01:00 James Starlight <
> >> >>> jmsstarlight.gmail.com
> >> >>> >> >:
> >> >>> >> >>> >>
> >> >>> >> >>> >>> Thanks Dan!
> >> >>> >> >>> >>>
> >> >>> >> >>> >>> I'm not sure only if I selected mask for the solvent
> >> properly
> >> >>> but
> >> >>> >> it
> >> >>> >> >>> >>> produced good graph. Taking into account that :MOL is the
> >> >>> ligand
> >> >>> >> >>> within the
> >> >>> >> >>> >>> cavity and I'd like to estimate water influx exactly into
> >> the
> >> >>> >> cavity
> >> >>> >> >>> during
> >> >>> >> >>> >>> md simulation what reasonable lower and upper cutoffs
> >> might be?
> >> >>> >> >>> >>>
> >> >>> >> >>> >>> watershell :MOL W1.dat :WAT lower 3.0 upper 5.0
> >> >>> >> >>> >>>
> >> >>> >> >>> >>> PARM [protein.parm7]: Setting up 1 actions.
> >> >>> >> >>> >>> 0: [watershell :MOL W1.dat :WAT lower 3.0 upper 5.0]
> >> >>> >> >>> >>> Mask [:MOL] represents 46 atoms
> >> >>> >> >>> >>> Mask [:WAT] represents 25560 atoms
> >> >>> >> >>> >>> WATER SHELL: Output to W1.dat
> >> >>> >> >>> >>> The first shell will contain water < 3.000
> angstroms
> >> from
> >> >>> >> >>> >>> the solute; the second shell < 5.000 angstroms...
> >> >>> >> >>> >>> The solute atoms are :290
> >> >>> >> >>> >>> The solvent atoms are :396-8914,:8915.O,:8915.H1
> >> >>> ,:8915.H2
> >> >>> >> >>> >>>
> >> >>> >> >>> >>> James
> >> >>> >> >>> >>>
> >> >>> >> >>> >>>
> >> >>> >> >>> >>> 2015-02-03 17:12 GMT+01:00 Daniel Roe <
> >> daniel.r.roe.gmail.com
> >> >>> >:
> >> >>> >> >>> >>>
> >> >>> >> >>> >>>> Hi,
> >> >>> >> >>> >>>>
> >> >>> >> >>> >>>> Not sure this is exactly what you're looking for, but
> you
> >> >>> might
> >> >>> >> want
> >> >>> >> >>> >>>> to check out the 'watershell' command, which will record
> >> the
> >> >>> >> number
> >> >>> >> >>> of
> >> >>> >> >>> >>>> water molecules in the 1st and 2nd solvation shells
> >> defined
> >> >>> by a
> >> >>> >> >>> lower
> >> >>> >> >>> >>>> cutoff (default 3.4 Ang.) and an upper cutoff (5.0 Ang).
> >> This
> >> >>> will
> >> >>> >> >>> >>>> produce a file containing Frame number, # lower, and #
> >> upper.
> >> >>> You
> >> >>> >> >>> >>>> could then calculate a histogram which shows where each
> >> value
> >> >>> >> peaks
> >> >>> >> >>> >>>> and use a second run with the 'closest' command to
> >> generate
> >> >>> >> >>> >>>> trajectories containing the first and second or just the
> >> first
> >> >>> >> >>> >>>> solvation shells for further calculation/visualization
> >> etc.
> >> >>> For
> >> >>> >> >>> >>>> example:
> >> >>> >> >>> >>>>
> >> >>> >> >>> >>>> parm myparm.parm7
> >> >>> >> >>> >>>> trajin mycrd.nc
> >> >>> >> >>> >>>> watershell :MOL W1.dat W1 lower 3.0 upper 5.0
> >> >>> >> >>> >>>> multihist W1[*] out W1.hist.agr bins 50
> >> >>> >> >>> >>>>
> >> >>> >> >>> >>>> Hope this helps,
> >> >>> >> >>> >>>>
> >> >>> >> >>> >>>> -Dan
> >> >>> >> >>> >>>>
> >> >>> >> >>> >>>> On Tue, Feb 3, 2015 at 8:54 AM, James Starlight <
> >> >>> >> >>> jmsstarlight.gmail.com>
> >> >>> >> >>> >>>> wrote:
> >> >>> >> >>> >>>> > Dear Amber users!
> >> >>> >> >>> >>>> >
> >> >>> >> >>> >>>> > I'm looking for the possibility to calculate number of
> >> the
> >> >>> water
> >> >>> >> >>> >>>> molecules
> >> >>> >> >>> >>>> > detected within the protein (here I define area of
> >> >>> interests as
> >> >>> >> >>> :MOL)
> >> >>> >> >>> >>>> > during molecular dynamic simulation. As the result it
> >> will
> >> >>> be
> >> >>> >> >>> better to
> >> >>> >> >>> >>>> > obtain some graph as well showing dependence of the
> >> water
> >> >>> >> within 3
> >> >>> >> >>> A
> >> >>> >> >>> >>>> of Mol
> >> >>> >> >>> >>>> > on Y and time on X. Some time ago I did it using some
> >> vmd
> >> >>> >> script
> >> >>> >> >>> >>>> which was
> >> >>> >> >>> >>>> > lost :) so not I'm looking for another possibility to
> do
> >> >>> this
> >> >>> >> kind
> >> >>> >> >>> of
> >> >>> >> >>> >>>> > analysis using cpptraj.
> >> >>> >> >>> >>>> >
> >> >>> >> >>> >>>> > I'd be thankful for any help,
> >> >>> >> >>> >>>> >
> >> >>> >> >>> >>>> > James
> >> >>> >> >>> >>>> > _______________________________________________
> >> >>> >> >>> >>>> > AMBER mailing list
> >> >>> >> >>> >>>> > AMBER.ambermd.org
> >> >>> >> >>> >>>> > http://lists.ambermd.org/mailman/listinfo/amber
> >> >>> >> >>> >>>>
> >> >>> >> >>> >>>>
> >> >>> >> >>> >>>>
> >> >>> >> >>> >>>> --
> >> >>> >> >>> >>>> -------------------------
> >> >>> >> >>> >>>> Daniel R. Roe, PhD
> >> >>> >> >>> >>>> Department of Medicinal Chemistry
> >> >>> >> >>> >>>> University of Utah
> >> >>> >> >>> >>>> 30 South 2000 East, Room 307
> >> >>> >> >>> >>>> Salt Lake City, UT 84112-5820
> >> >>> >> >>> >>>> http://home.chpc.utah.edu/~cheatham/
> >> >>> >> >>> >>>> (801) 587-9652
> >> >>> >> >>> >>>> (801) 585-6208 (Fax)
> >> >>> >> >>> >>>>
> >> >>> >> >>> >>>> _______________________________________________
> >> >>> >> >>> >>>> AMBER mailing list
> >> >>> >> >>> >>>> AMBER.ambermd.org
> >> >>> >> >>> >>>> http://lists.ambermd.org/mailman/listinfo/amber
> >> >>> >> >>> >>>>
> >> >>> >> >>> >>>
> >> >>> >> >>> >>>
> >> >>> >> >>> >>
> >> >>> >> >>> > _______________________________________________
> >> >>> >> >>> > AMBER mailing list
> >> >>> >> >>> > AMBER.ambermd.org
> >> >>> >> >>> > http://lists.ambermd.org/mailman/listinfo/amber
> >> >>> >> >>>
> >> >>> >> >>>
> >> >>> >> >>>
> >> >>> >> >>> --
> >> >>> >> >>> -------------------------
> >> >>> >> >>> Daniel R. Roe, PhD
> >> >>> >> >>> Department of Medicinal Chemistry
> >> >>> >> >>> University of Utah
> >> >>> >> >>> 30 South 2000 East, Room 307
> >> >>> >> >>> Salt Lake City, UT 84112-5820
> >> >>> >> >>> http://home.chpc.utah.edu/~cheatham/
> >> >>> >> >>> (801) 587-9652
> >> >>> >> >>> (801) 585-6208 (Fax)
> >> >>> >> >>>
> >> >>> >> >>> _______________________________________________
> >> >>> >> >>> AMBER mailing list
> >> >>> >> >>> AMBER.ambermd.org
> >> >>> >> >>> http://lists.ambermd.org/mailman/listinfo/amber
> >> >>> >> >>>
> >> >>> >> >>
> >> >>> >> >>
> >> >>> >> > _______________________________________________
> >> >>> >> > AMBER mailing list
> >> >>> >> > AMBER.ambermd.org
> >> >>> >> > http://lists.ambermd.org/mailman/listinfo/amber
> >> >>> >>
> >> >>> >>
> >> >>> >>
> >> >>> >> --
> >> >>> >> -------------------------
> >> >>> >> Daniel R. Roe, PhD
> >> >>> >> Department of Medicinal Chemistry
> >> >>> >> University of Utah
> >> >>> >> 30 South 2000 East, Room 307
> >> >>> >> Salt Lake City, UT 84112-5820
> >> >>> >> http://home.chpc.utah.edu/~cheatham/
> >> >>> >> (801) 587-9652
> >> >>> >> (801) 585-6208 (Fax)
> >> >>> >>
> >> >>> >> _______________________________________________
> >> >>> >> AMBER mailing list
> >> >>> >> AMBER.ambermd.org
> >> >>> >> http://lists.ambermd.org/mailman/listinfo/amber
> >> >>> >>
> >> >>> > _______________________________________________
> >> >>> > AMBER mailing list
> >> >>> > AMBER.ambermd.org
> >> >>> > http://lists.ambermd.org/mailman/listinfo/amber
> >> >>>
> >> >>>
> >> >>>
> >> >>> --
> >> >>> -------------------------
> >> >>> Daniel R. Roe, PhD
> >> >>> Department of Medicinal Chemistry
> >> >>> University of Utah
> >> >>> 30 South 2000 East, Room 307
> >> >>> Salt Lake City, UT 84112-5820
> >> >>> http://home.chpc.utah.edu/~cheatham/
> >> >>> (801) 587-9652
> >> >>> (801) 585-6208 (Fax)
> >> >>>
> >> >>> _______________________________________________
> >> >>> AMBER mailing list
> >> >>> AMBER.ambermd.org
> >> >>> http://lists.ambermd.org/mailman/listinfo/amber
> >> >>>
> >> >>
> >> >>
> >> > _______________________________________________
> >> > AMBER mailing list
> >> > AMBER.ambermd.org
> >> > http://lists.ambermd.org/mailman/listinfo/amber
> >>
> >>
> >>
> >> --
> >> -------------------------
> >> Daniel R. Roe, PhD
> >> Department of Medicinal Chemistry
> >> University of Utah
> >> 30 South 2000 East, Room 307
> >> Salt Lake City, UT 84112-5820
> >> http://home.chpc.utah.edu/~cheatham/
> >> (801) 587-9652
> >> (801) 585-6208 (Fax)
> >>
> >> _______________________________________________
> >> AMBER mailing list
> >> AMBER.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
> >
> >
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Wed Feb 25 2015 - 07:30:03 PST
