Docker - http://docker.com
###synthesized - Compounds that JD has synthesized
en-pro-trials-Spreadsheet - All data pertaining to enhanced proline couplings
en-pro-trials-chemdraw - Shows the coupling that was performed for the data in the spreadsheet
en-pro-Scheme-Stocks - Shows the synthesis of the monomers and my current amino acid stock on hand
G_182 - NMR file names = 7182XX - tri-ep(meo)-tri-nmeg - shows NMR simplification with K-OTf addition
G_183 - NMR file names = 7183XX - tri-ep(varied)-tri-nmeg - shows NMR simplification with K-OTf addition
H_030 - NMR file names = 8030XX - tri-ep(bn)-tri-nmeg - shows NMR simplification with K-OTf addition
H_030.pdf shows the roesy correlations
H_031 - NMR file names = 8031XX - tri-ep(bn)-tri-nleu - shows NMR simplification with K-OTf addition
H_031.pdf shows the roesy correlations
H_031-2.pdf shows the expanded roesy correlations, with both quantitative(integrated peaks)
and qualitative (strong, medium, weak) assignments
H_032 - NMR file names = 8032XX - tri-ep(bn)-tri-leu - does not show NMR simplification with K-OTf addition
H_035 - Alkylated H_032 with t-Bu Acetate, shows as single peak on LCMS, still messy NMR
###designs - Compounds that JD can synthesize
for designs, the filename will give some indication as to the structure of the molecule
macrocycles: xxx-xxx-xxx-xxx, for instance tri-ep-tri-ala means a 6 mer macrocycle
with three enhanced proline and three L-alanine residues, whereas di-epdi-tet-gly would
mean a 6 mer macrocycle with two enhanced proline dimers and 4 glycine residues
###paper - documents for the first paper
Direct document from my thesis -chapter 3- without any edits. most likely needs major overhaul
to be a viable manuscript draft. Does not contain any new data pertaining to the first two tables
of the trials spreadsheet, nor does it have any of the peptoid macrocycle data yet.
###lib - Library files
###cando.sh - source this file to run cando