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fixed issue 17, please merge #35

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ebeea43
test
zetches Mar 3, 2011
06a3802
test text removed
zetches Mar 3, 2011
b76b9c1
committing a small text file to test if my Github setup works.
zetches Mar 3, 2011
c4bbb86
fixed constraint handling issue - forbid adjacent bp pairing
Mar 1, 2011
290afc1
place ct file in current working dir
Mar 1, 2011
c4401f5
minor code cleanup
Mar 1, 2011
1acf3aa
fixed bug on reading of sequence
pgaurav Apr 13, 2011
51abea3
program crashed when run with unambiguous bases sequence, fixed this
pgaurav Apr 14, 2011
3f0046e
removed printing of seq contents
pgaurav Apr 22, 2011
27383c2
adding data files in new format
pgaurav Apr 28, 2011
ef501b8
adding script to covert data to newer format
pgaurav Apr 28, 2011
fead43c
support for new data format
pgaurav Apr 28, 2011
270f694
changes to parse datafiles compatible with UNAfold format
pgaurav Apr 28, 2011
b189299
fixed bug related to constraints
pgaurav May 4, 2011
9d4a526
Merge remote branch 'upstream/master' into error_est
zetches May 7, 2011
1a4dfa0
Commiting SHAPE support and the first attempt at fixing constraints. …
zetches May 7, 2011
de4982d
Errors in thermodynamic paramters... commit long overdue!! (It is not…
zetches May 8, 2011
0e3f085
Contact distance implemented + missing SHAPE header included again in…
zetches May 8, 2011
ff9ec67
Removed unnecessary output
zetches May 8, 2011
e7dc6b3
Merge pull request #2 from dsokus/shape_constraints
shelswenson May 8, 2011
48ee2aa
Fixed pseudoknotted constraint issue (issue nr. 3)
zetches May 8, 2011
3cd54bb
Merge pull request #5 from dsokus/shape_constraints
shelswenson May 8, 2011
0d86566
Fix to forcing constraints, traceback error, and some small problems …
zetches May 14, 2011
e6877be
fix to tracing W[i] even if it has positive energy, in the special ca…
zetches May 14, 2011
4d8be8a
fixed an out-of-scope reference in unconstrained predictions, and add…
zetches May 14, 2011
e21f663
Merge pull request #6 from dsokus/shape_constraints
shelswenson May 14, 2011
ee47c24
fix to prohibited constraints
zetches May 17, 2011
42c5b93
I need to move this to another computer to go to a ballgame
Janderson3 May 17, 2011
83f7fe5
First draft of matrix filling
May 18, 2011
d814038
Compiles does not link
Janderson3 May 18, 2011
294a556
Finished writing all probability functions
Janderson3 May 20, 2011
9008ee9
fixed internal loop calculation
pgaurav May 20, 2011
9e0612c
removed flag optimization
pgaurav May 23, 2011
b85fbaf
added -p option to allow
pgaurav May 23, 2011
3e117e6
added -p option to allow dir name for param files
pgaurav May 23, 2011
7e421b5
added -p option to allow dir name for param files
pgaurav May 23, 2011
ec8dcb9
removed unrequired header
pgaurav May 24, 2011
fd23a9d
removed cout statement
pgaurav May 24, 2011
14e822e
fixed MFE and constraints. constraint check included with -v option
zetches May 24, 2011
3eee5c2
Fixed constraints, removed unnecessary output
zetches May 24, 2011
15915e5
merged Prashant's rewrite branch
zetches May 25, 2011
1efeeb2
Merge branch 'shape_constraints', remote branch 'prashant-rewrite/rew…
zetches May 25, 2011
da4c291
Fixed merge errors, should compile now
zetches May 25, 2011
a5ebd16
replaced data Makefiles with Prashant's version
zetches May 25, 2011
b4b0055
trying to commit data Makefiles again
zetches May 25, 2011
ecf119a
...and once more..?
zetches May 25, 2011
7227e16
fixed lost support for contact distance
zetches May 25, 2011
f4f42d6
Merge pull request #7 from dsokus/shape_constraints
shelswenson May 25, 2011
71de763
testing
pgaurav Jun 7, 2011
f3fdde6
change to speedup multiloop calculations
pgaurav Jun 7, 2011
50d2058
Merge pull request #8 from pgaurav/master
shelswenson Jun 8, 2011
7b9fe56
Bugfix in partition. Random sample now compiles, links
Janderson3 Jun 11, 2011
142e6c6
I believe my automake is broken, but bpp theoretically re-integrated
Janderson3 Jun 16, 2011
b491b38
added new macro
Jun 16, 2011
265ac33
added new macro
Jun 16, 2011
f192620
added -m option
Jun 16, 2011
4c9b019
added energy functions to support unafold mode
Jun 16, 2011
7ff348f
added function to load tstacke tstackm tstacki23 enegery values
Jun 16, 2011
e0ab343
added change to handle unafold mode
Jun 16, 2011
2ed0a64
added changes to handle unafold mode
Jun 16, 2011
f9e0200
merged ZS bug fix on constraints
Jun 16, 2011
9cb4ef7
merged ZS changes with SHAPE
Jun 16, 2011
25b0306
merged ZS changes with SHAPE
Jun 16, 2011
5914da2
Merge pull request #10 from pgaurav/master
shelswenson Jun 16, 2011
69de041
Accessing C declarations from C++ requires the "C" extern
ash211 Jun 17, 2011
2223754
removed Makefile
Jun 17, 2011
9262568
seperate functions eL1(), eL() to handle 2x3 internal loop
Jun 17, 2011
c487f47
Merge pull request #12 from pgaurav/master
shelswenson Jun 17, 2011
9219127
Pull from gtfold master
Janderson3 Jun 19, 2011
9e05747
Merged from gtfold
Janderson3 Jun 19, 2011
12b006b
--bpp option re-integrated.
Janderson3 Jun 20, 2011
7d7dadb
subopt related changes
Jun 20, 2011
0c9f170
added print message
Jun 20, 2011
f33cfc9
added .dat files to base_data dir
Jun 20, 2011
6fcd379
moved .dat files to base_data dir
Jun 20, 2011
cbaa6e8
rmeoved .dat entries
Jun 20, 2011
2f5af3b
Merge branch 'master' of git://github.com/gtfold/gtfold
Jun 20, 2011
2cc3a89
Merge pull request #13 from pgaurav/master
shelswenson Jun 20, 2011
d2f0de2
fix for contact dist
Jun 21, 2011
4da0d65
fixed subopt, change to take value kCal
Jun 21, 2011
42fc0fd
Merge pull request #26 from pgaurav/master
shelswenson Jun 21, 2011
0ed558f
fix for allowable basepair
Jun 22, 2011
a21bebc
subopt changes
Jun 22, 2011
57734a3
Merge pull request #27 from pgaurav/master
shelswenson Jun 22, 2011
e98313f
adding UNAfold parameters
Jun 23, 2011
b41b459
changes to seperate unamode(--unamode), terminal mismatch(-m)
Jun 23, 2011
bcfe005
changes to seperate unamode(--unamode), terminal mismatch(-m)
Jun 23, 2011
69a7bc8
adding file
Jun 23, 2011
4117ca8
added print statement
Jun 23, 2011
3cc1c50
Merge pull request #28 from pgaurav/master
shelswenson Jun 24, 2011
4d47896
added entry tstacke; removed sint2, sint4
Jun 24, 2011
bd2db40
added Makefiles under UNAParams
Jun 24, 2011
89d7ef3
added entry UNAParams
Jun 24, 2011
f06c44f
added entry UNAParams
Jun 24, 2011
d9170d0
delete these auto generated file
Jun 24, 2011
43a71ff
delete these auto generated file
Jun 24, 2011
82bf3ec
deleted unwanted files
Jun 24, 2011
ae599b4
added prefilter option, rectified unamode option
Jun 24, 2011
f3c2db0
removed unwanted print statement
pgaurav Jun 24, 2011
d768553
added check for prefilter inputs
pgaurav Jun 24, 2011
65e4d90
Merge pull request #29 from pgaurav/master
shelswenson Jun 24, 2011
69869cc
fixed formatting problem in help message
pgaurav Jun 24, 2011
54a21b8
added newline after Total
pgaurav Jun 24, 2011
2e72f93
Merge pull request #31 from pgaurav/master
shelswenson Jun 26, 2011
fcb3e20
added prefix and workdir option, fixed -d option
pgaurav Jun 27, 2011
43b8ec5
added Vienna energy params
pgaurav Jun 27, 2011
2e9862a
changes for --rnafold option
pgaurav Jun 27, 2011
cf4e693
Merge pull request #33 from pgaurav/master
shelswenson Jun 27, 2011
8d711d3
fixed issue 17
pgaurav Jun 27, 2011
4886a32
Merge pull request #34 from pgaurav/master
shelswenson Jun 27, 2011
f930550
- changed --unamode to --unafold, - removed a debug statement
pgaurav Jun 29, 2011
f6efb37
Merge pull request #36 from pgaurav/master
shelswenson Jul 1, 2011
07ed2e6
added d2 option
pgaurav Jul 8, 2011
21abfb5
changed parameters for RNAfold mode
pgaurav Jul 8, 2011
9b11ef9
removed debug mode
pgaurav Jul 8, 2011
cf5d0ed
Merge branch 'master' of https://github.com/gtfold/gtfold
pgaurav Jul 8, 2011
544254c
Edited descriptions of --help message
shelswenson Jul 8, 2011
f799025
merged Shel's changes
pgaurav Jul 8, 2011
4fd11cc
Merge pull request #43 from pgaurav/master
shelswenson Jul 8, 2011
7f6c3c6
removed debug statement
pgaurav Jul 11, 2011
6cbc69e
added options for dangles, mismatch
pgaurav Jul 11, 2011
3f2effa
enabled precedence of -d over -m optiom
pgaurav Jul 11, 2011
57e86f4
options.cc
pgaurav Jul 11, 2011
93be703
Merge pull request #44 from pgaurav/master
shelswenson Jul 11, 2011
e8c7d3e
Edited descriptions of --help message
shelswenson Jul 11, 2011
7959d2f
fixed commandline options
pgaurav Jul 11, 2011
93972e5
fixed a print statement
pgaurav Jul 11, 2011
63fbc24
merged changes
pgaurav Jul 12, 2011
3249482
fixed commanline options
pgaurav Jul 12, 2011
58bc5a2
merged changes
pgaurav Jul 12, 2011
3209d22
Merge pull request #46 from pgaurav/master
shelswenson Jul 12, 2011
6b6b7ba
fixed commanline options
pgaurav Jul 12, 2011
80751be
Merge pull request #47 from pgaurav/master
shelswenson Jul 12, 2011
ef1b79b
fixed minor issue
pgaurav Jul 12, 2011
4bfd1f8
added new features list
pgaurav Jul 12, 2011
16e00e0
Merge pull request #48 from pgaurav/master
shelswenson Jul 12, 2011
951612c
updated copyright information
shelswenson Jul 12, 2011
6c7bdb5
corrected spelling errors in help message
shelswenson Jul 12, 2011
01c1ecb
updated copyright info in README's and autor list in AUTHORS
shelswenson Jul 12, 2011
3b6010e
added new header files
pgaurav Jul 12, 2011
c45defa
removed TODO file
pgaurav Jul 12, 2011
2d3640f
Merge pull request #49 from pgaurav/master
shelswenson Jul 12, 2011
e099009
removed TODO NEWS
pgaurav Jul 12, 2011
bbe5f6d
removing NEWS
pgaurav Jul 12, 2011
7a5bb17
Merge pull request #50 from pgaurav/master
shelswenson Jul 12, 2011
b68b49a
removing NEWS
pgaurav Jul 12, 2011
ad581fd
Merge pull request #51 from pgaurav/master
shelswenson Jul 12, 2011
d8014e1
clarified help message
shelswenson Jul 20, 2011
4e11ae5
enable -d 2 when subopt is invoked
pgaurav Jul 20, 2011
4656b8b
new subopt algorithm using -d 2 mode
pgaurav Jul 20, 2011
462278d
removed debug statement
pgaurav Jul 20, 2011
478ddc4
Merge pull request #52 from pgaurav/master
shelswenson Jul 20, 2011
88591d6
clarified help message
shelswenson Jul 20, 2011
71817d1
added NEWS
pgaurav Jul 20, 2011
dc12e6a
fixed typos and spelling errors in README
shelswenson Jul 20, 2011
2170c3f
added logic to read data from install dir, environ dir, current dir
pgaurav Jul 21, 2011
5f52ec4
Merge branch 'master' of https://github.com/gtfold/gtfold
pgaurav Jul 21, 2011
5bc618a
renamed environ var to GTFOLDDATADIR
pgaurav Jul 21, 2011
018827a
renamed environ var to GTFOLDDATADIR
pgaurav Jul 21, 2011
766e66f
lookup environ var then install dir
pgaurav Jul 21, 2011
a575a76
Merge pull request #54 from pgaurav/master
shelswenson Jul 21, 2011
a8470e3
Fixed pseudoknot detection logic in constraint pre-processing part of…
iamrohitbanga Sep 9, 2011
8dc6951
Revert "Fixed pseudoknot detection logic in constraint pre-processing…
iamrohitbanga Sep 10, 2011
6cdf73e
Fix pseudoknot detection code.
iamrohitbanga Sep 10, 2011
e9100f1
Corrected constraints code for handling single stranded constraints p…
msoni3 Sep 12, 2011
1c0c4ea
Merge pull request #57 from iamrohitbanga/master
shelswenson Sep 12, 2011
b48be6b
Merge branch 'master' of https://github.com/gtfold/gtfold
msoni3 Sep 12, 2011
3c2edff
Merge pull request #58 from msoni3/master
shelswenson Sep 14, 2011
54cfe37
adding partitition function header/src files
pgaurav Sep 14, 2011
17bc053
added header energy.h
pgaurav Sep 14, 2011
2135309
Merge pull request #1 from pgaurav/master
iamrohitbanga Sep 14, 2011
089d8d6
added global vars
pgaurav Sep 14, 2011
6228db1
Merge branch 'master' of https://github.com/pgaurav/gtfold
iamrohitbanga Sep 14, 2011
adb2665
Merge pull request #1 from pgaurav/master
msoni3 Sep 14, 2011
f96b75f
integrated partition func
pgaurav Sep 16, 2011
e606b16
Merge https://github.com/pgaurav/gtfold
msoni3 Sep 16, 2011
5bfc440
Merge pull request #2 from pgaurav/master
iamrohitbanga Sep 16, 2011
6f57a54
Merge branch 'master' of github.com:iamrohitbanga/gtfold
iamrohitbanga Sep 16, 2011
a922dc6
boundary correction
pgaurav Sep 16, 2011
cd7a1d7
Merge https://github.com/pgaurav/gtfold
msoni3 Sep 16, 2011
1032965
Merge branch 'master' of github.com:iamrohitbanga/gtfold
iamrohitbanga Sep 16, 2011
56170aa
Merge pull request #3 from pgaurav/master
iamrohitbanga Sep 16, 2011
42cb45d
more boundary correction
pgaurav Sep 16, 2011
93ea6ff
Merge https://github.com/pgaurav/gtfold
msoni3 Sep 16, 2011
2bd6ef3
Merge branch 'master' of github.com:iamrohitbanga/gtfold
iamrohitbanga Sep 16, 2011
709eda2
Merge pull request #4 from pgaurav/master
iamrohitbanga Sep 16, 2011
91e95b8
more boundary correction
pgaurav Sep 16, 2011
abcd9f5
more boundary correction
pgaurav Sep 16, 2011
881a807
Merge https://github.com/pgaurav/gtfold
msoni3 Sep 16, 2011
152efaf
Merge pull request #5 from pgaurav/master
iamrohitbanga Sep 16, 2011
6df8796
Merge branch 'master' of github.com:iamrohitbanga/gtfold
iamrohitbanga Sep 16, 2011
384554f
Merge https://github.com/pgaurav/gtfold
msoni3 Sep 16, 2011
badba13
debug changes
pgaurav Sep 16, 2011
dd34590
Test for single stranded constraint
msoni3 Sep 27, 2011
20e64c6
Test for single stranded constraint
msoni3 Sep 27, 2011
0ffefa5
First version of test scripts:
iamrohitbanga Sep 30, 2011
f7923e6
Partition Function calculation implementation completed
msoni3 Oct 1, 2011
53147c1
Merge pull request #2 from msoni3/master
pgaurav Oct 1, 2011
c3fb23c
added stochastic sampling
Oct 1, 2011
947fa18
added stochastic sampling files
Oct 1, 2011
6bf5763
changes related to stochastic sampling
Oct 1, 2011
d3c1e2b
changed f() to be non static
Oct 1, 2011
69d1e00
Partition Func overflow error due to int value resolved
msoni3 Oct 2, 2011
ae6806e
Merge pull request #3 from msoni3/master
pgaurav Oct 2, 2011
91e43f3
added checks
Oct 2, 2011
5e349a2
corrections in ML traceback
Oct 2, 2011
8c2c062
Wrapper function for Ed3 and Ed5 dangling functions added
msoni3 Oct 3, 2011
173d284
Merge pull request #4 from msoni3/master
pgaurav Oct 4, 2011
e98206c
u1d is now of length n+2 instead of length n+1 as suggested by shel
msoni3 Oct 5, 2011
782c847
Merge pull request #5 from msoni3/master
pgaurav Oct 5, 2011
9d929f2
Fix suboptimal traceback code.
iamrohitbanga Oct 5, 2011
4b1ad01
1. Merge Pseudoknot Detection Tests.
iamrohitbanga Oct 6, 2011
85b7ac7
Fix subopt error along with constraints error.
iamrohitbanga Oct 7, 2011
17c8e51
Merge the set of sequences that can be used by tests. Filtered out th…
iamrohitbanga Oct 7, 2011
f5c75dd
Merge the README file.
iamrohitbanga Oct 7, 2011
aac4e4a
Rename PseudoKnotDetection Tests to ExitCode Tests.
iamrohitbanga Oct 7, 2011
8ed1a04
Remove pseudoknot detection sequences
iamrohitbanga Oct 7, 2011
7b4289c
Test to Compare CT structure returned by GTFold and UNAFold.
iamrohitbanga Oct 14, 2011
82ca1b2
Added meaningful names to some sequence files.
iamrohitbanga Oct 14, 2011
0926b47
Cleanup - Delete a file.
iamrohitbanga Oct 14, 2011
594093c
Merge Suboptimal Structure matching test.
iamrohitbanga Oct 14, 2011
d966815
Output formatting for saving suboptimal structures to a file changed …
iamrohitbanga Oct 14, 2011
d069c65
Few Bug removed from partition function and options for getting struc…
msoni3 Oct 14, 2011
1367dc6
Merge pull request #6 from msoni3/master
pgaurav Oct 14, 2011
f587da4
Constraint Verification Tests - The tests generate random constraints…
iamrohitbanga Oct 14, 2011
c9ea343
adding changes to sampling
Oct 16, 2011
c008412
fixes to sampling algorithm
Oct 20, 2011
a1f5d30
adding fix of Eb and Ec
Oct 20, 2011
ea00693
fix RT scaling factor
Oct 21, 2011
2d8a329
print sampling probablities
pgaurav Oct 21, 2011
c8b8ccd
added boltzmann prob calculation
pgaurav Oct 26, 2011
ded86f0
changed part func to return U
pgaurav Oct 26, 2011
3f7c982
fixed energy traceback
pgaurav Nov 2, 2011
29cc807
Implementation of Unique Multiloop Decomposition
Nov 4, 2011
90b4481
Added a Sample Test Module
Nov 11, 2011
cdd5c97
Pretty Output for Suboptimal Structures Match Test. Output sent to a …
Nov 11, 2011
45111dc
adding stochastic smaplign changes
pgaurav Nov 18, 2011
99e46c4
Adding Paul Specials
Nov 18, 2011
7fa3ab8
Duplicate Structures should be reported if partial structure encounte…
iamrohitbanga Nov 18, 2011
89c6c5d
Merge pull request #7 from iamrohitbanga/master
pgaurav Nov 18, 2011
fb6500b
code cleanup
pgaurav Dec 16, 2011
70d4e4d
adding changes in global vars
pgaurav Dec 16, 2011
6d5a9f9
removing file
pgaurav Dec 16, 2011
e492adc
+ adding new options + script to add symlink
pgaurav Dec 16, 2011
1957922
added creation of symlinks
pgaurav Dec 16, 2011
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40 changes: 33 additions & 7 deletions README
Original file line number Diff line number Diff line change
@@ -1,14 +1,23 @@
GTfold: A Scalable Multicore Code for RNA Secondary Structure Prediction

(C) 2007-2010, David A. Bader
Amrita Mathuriya
(C) 2007-2011, David A. Bader
College of Computing, Georgia Institute of Technology
Christine E. Heitsch
School of Mathematics, Georgia Institute of Technology
Stephen C. Harvey
School of Biology, Georgia Institute of Technology
Sainath Mallidi
College of Computing, Georgia Institute of Technology
And various contributing authors

This program is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program. If not, see <http://www.gnu.org/licenses/>.

The prediction of the correct secondary structures of large RNAs is
one of the unsolved challenges of computational molecular biology.
Expand All @@ -28,8 +37,11 @@ DBI-04-20513. Additionally, the research of Christine E. Heitsch,
Ph.D., is supported in part by a Career Award at the Scientific
Interface (CASI) from the Burroughs Wellcome Fund (BWF).

Additional contributors to GTfold's implementation include Georgia
Tech visiting students Gregory Nou, Sonny Hernandez, and Manoj Soni.
Additional contributors to GTfold's implementation include
Georgia Tech graduate students Sainath Mallidi, Amrita Mathuriya,
and Prashant Gaurav, undergraduates Joshua Anderson and Andrew Ash
and visiting students Gregory Nou, Sonny Hernandez, Manoj Soni,
and Zsuzsanna Sukosd.

INSTALLATION -
Please execute the following commands
Expand Down Expand Up @@ -110,4 +122,18 @@ Version History:
1.16 20 May 2010 Fixed another nasty bug with prohibited constraints handling.
Earlier not used to update the WM array if a base pair is prohibited which is causing GTfold to trace partial structure.
Some documentation added.

2.0 11 July 2011
Optimized the code to enable faster multiloop calculations
Added -d, --dangle to allow treatment of dangling end energies based on user input
Added -m --mismatch to enable terminal mismatch calculations
Added -o, --output, , -w --workdir options to allow to write output files/directories with desired name
Added -p --paramdir to allow user to provide custom parameters
Added -t, --threads to limit number of threads used
Added -v, --verbose to print loop-by-loop energy decomposition and confirm that constraints are satisfied
Added --prefilter to prohibit any basepair which does not have appropriate neighboring nucleotides
such that it could be part of a helix of length INT
Added --rnafold to run GTfold in RNAfold default mode (ViennaPackage version 1.8.5)
Added --unafold to run GTfold in UNAfold default mode (version 3.8)
Added --subopt NUM (Beta only) to produce all suboptimal structures whose energies are within NUM of the MFE
Added --bpp (Beta only) which outputs basepair probabilities based on the partition function
Added --useShape (Beta only) which allows the user to incorporate SHAPE-type data
1 change: 1 addition & 0 deletions gtfold-mfe/AUTHORS
Original file line number Diff line number Diff line change
Expand Up @@ -4,4 +4,5 @@ Amrita Mathuriya <[email protected]> August 2007 - January 2009
Sainath Mallidi <[email protected]> August 2009 - December 2010
Josh Anderson <[email protected]> August 2010 - May 2011
Andrew Ash <[email protected]> August 2010 - May 2011
Zsuzsanna Sukosd <[email protected]> February 2011 - June 2011
Prashant Gaurav <[email protected]> August 2010 -
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