Chemdraw
Chemdraw is a molecule editor which enables users to easily draw out chemical structures, with features ranging from structure-to-name simulation to mass spectrum simulation.
Chimera
Chimera is a program which enables interactive visualization and analysis of molecular structures.
MestReNova
MestReNova is a spectral data analysis program, enabling the visualization of NMR, GCMS, and LCMS data.
OriginLab
OriginLab is a scientific graphing and data analysis software. This program is only downloadable on Windows devices. All other users can access the program through the Virtual Lab while using the Haverford VPN.
PyMol
PyMOL is a molecular visualization software geared towards bio-oriented analyses.
Snapgene Viewer
Snapgene Viewer is a program which enables users to easily view gene and sequencing data.
Nuclear Magnetic Resonance (NMR) Spectroscopy is an analytical technique used to determine the content and purity of a sample as well as its molecular structure.
Varian (Agilent) 500 MHz NMR spectrometer
Location: KINSC E107
GROMACS
GROMACS is a free downloadable package used to perform molecular dynamics primarily on proteins, lipids, and nucleic acids.
LAMMPS
LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is a molecular dynamics package capable of modeling systems comprised of billions of particles.
MDTraj
MDTraj is a python library enabling users to manipulate molecular dynamics trajectories.
MolSSI Suite
MolSSI Suite is a page from the Molecular Scientific Sciences Software Institute, offering workshops and online tutorials for using Python as a computational chemistry tool.
OpenMM
OpenMM is a toolkit for molecular simulations compatible with Python, C, C++, and Fortran.
Psi4
Psi4 is a Python and C++ based computational chemistry package.
Scientific Python Suite
Scientific Python Suite is a collection of open source software for scientific computing in Python.
Scikit-learn
Scikit-learn is a source for free, commercially-usable tools for predictive data analysis.
TensorFlow
TensorFlow is an open-source software library for machine learning.
WebMO
WebMO enables users to run computational chemistry programs from the web-browser of their personal computers. Email Casey Londergan for account related inquiries.
Matematica
Mathematica is a technical computing program with modeling, visualization, and machine learning capabilities.
Haverford VPN
The Haverford VPN enables users to remotely connect to the Haverford network.
Mass Spectrometry is an analytical technique used to determine the mass to charge ratio of one or more molecules present in a chemical sample.
Agilent 7890 Gas Chromatograph / 5975 Mass Spectrometer
Flame ionization and electron impact ionization
Perkin-Elmer Clarus-500 Gas Chromatograph / Mass Spectrometer System
Electron impact ionization
Location: KINSC E308
Agilent 1100 Liquid Chromatograph / Mass Spectrometer
Location: KINSC E107
Ultraviolet-Visible Spectroscopy (UV-Vis) is a quantitative technique used to measure how much light a chemical substance absorbs.
UV visible spectrophotometers
Shimadzu 160U
Perkin-Elmer Lambda 2
Jasco V-570
Time-resolved luminescence spectrometer
PTI 0.25-meter monochromator
PTI R928 photomultiplier
Stanford Research Systems Model 250 boxcar integrator
Perkin-Elmer 341 polarimeter
Hi-Tech SF51 stopped flow spectrophotometer
OLIS Instruments Low Temperature Stopped Flow Spectrometer
Location: KINSC E215
Vibrational Spectroscopy is a method of measurement of specific chemical bonds of absorbed atoms or molecules.
Infrared spectrophotometers
Nicolet Magna 550
Perkin-Elmer Spectrum 1000 FT (2x)
Nicolet 950 FT-Raman spectrometer
Dispersive Raman spectrometers
SPEX 500 Raman spectrometer
Liquid-nitrogen cooled CCD camera
ISA THR1000 spectrometer
Thermoelectrically cooled photodiode array detector
Location: KINSC E308
Princeton Applied Research 273 Electrochemical Analyzer
Mercury drop electrode
Location: KINSC E215
Buck Scientific Accusys 211 Atomic Absorption Spectrometer
Operation instructions
Location: KINSC E215
GBC-Difftech MMA powder X-ray diffractometer
Assorted diode lasers
Computers used for Computational Chemistry
KINSC shared instructional computer laboratory
Silicon Graphics Indigo Solid Impact workstation
Windows based computers running molecular modeling software (20x)
Automatic peptide synthesizers
Rainin Model PS3
Vega Biochemicals Model 250 (2x)
VirtTis Model 3.3 bench-top lyophilizer
Sorvall RC5B high speed centrifuge
Rotary evaporators
Shimadzu 2014 Gas Chromatograph
Flame Ionization Detector
Rainin high pressure liquid chromatograph Model SD-200 (2x)
One equipped with variable wavelength Dynamax Model UV-C detector
BioRAD Biologic protein chromatography system
Contact Joanne Brown or your PI for a username and password for system
Order Form for reagents and supplies
Form must be signed by research mentor and returned to Joanne Brown
Contact Daniel Fabry for a username and password for scheduling system
Chair of Chemistry Department
Instrument Specialist
Instrument Specialist
Software Engineer
Science Stockroom Manager
Sources:
What is Mass Spec- https://www.broadinstitute.org/proteomics/what-mass-spectrometry
What is UV-Vis- https://www.eag.com/techniques/spectroscopy/uv-vis-spectroscopy/
What is Vibrational Spectroscopy- https://www.sciencedirect.com/topics/chemistry/vibrational-spectroscopy#:~:text=Vibrational%20spectroscopy%20is%20a%20method,surface%20and%20the%20adatoms%20themselves.
Page created by Matt Donahue '22 -- Fall 2020