
 $Name: fa35_03_06 $ - $Id: readme.v35,v 1.29 2008/04/02 14:59:09 wrp Exp $

>>Apr. 2, 2008

Ensure that code in last_init() to modify ktup never increase ktup value.

>>Mar. 4, 2008

Fix parsing of parameters (matrix, gap open, gap ext) in ASN.1 PSSM
files produced by blastpgp.

>>Feb. 18, 2008	  fa35_03_05

Re-implement -M low-high sequence range options.  Sequence range
restriction has probably been missing since the introduction of
ggsearch and glsearch, which use a new approach to limiting the
sequence range.

>>Jan. 25, 2008	   fa35_03_04

Map 'O' (pyrrolysine) to 'K', 'U' (seleno-cysteine) to 'C' in uascii.h
('J' is already recognized and mapped to the average of 'I' and 'L').
Thus, 'J' will appear in alignments, but 'O' and 'U' are transformed
to 'K' and 'C'.

Because "Oo" and "Uo" are not (currently) part of aax[] ("Uu" is in
ntx[]), apam.c/build_xascii() was extended to add characters from
othx[] - "oth" for "other" so that they are not lost.

Double check, and fix, some mappings for 'J/j' and 'Z/z'.

>>Jan. 11, 2008	   fa35_03_03

Clean up some issues with -m 10 output; put "; mp_Algorithm", ";
mp_Parameters" down with other -m 10 ";" lines.  Also provide ";
al_code" and "; al_code_ann" if -m 9c is specified.  Remove duplicate
">>>query" line.

Add "; aln_code" and "; ann_code" to -m 10 -m 9c output.  The
alignment/annotation encoding is only produced once (in showbest(),
and is then saved for -m 10 aligment.

>>Dec. 13, 2007	  fa35_03_02m (merge of fa35_03_02 and fa35_02_08_br)

Add ability to search a subset of a library using a file name and a
list of accession/gi numbers. This version introduces a new filetype,
10, which consists of a first line with a target filename, format, and
accession number format-type, and optionally the accession number
format in the database, followed by a list of accession numbers.  For
example:

	  </slib2/blast/swissprot.lseg 0:2 4|
	  3121763
	  51701705
	  7404340
	  74735515
	  ...

Tells the program that the target database is swissprot.lseg, which is
in FASTA (library type 0) format.

The accession format comes after the ":".  Currently, there are four
accession formats, two that require ordered accessions (:1, :2), and
two that hash the accessions (:3, :4) so they do not need to be
ordered.  The number and character after the accession format
(e.g. "4|") indicate the offset of the beginning of the accession and
the character that terminates the accession.  Thus, in the typical
NCBI Fasta definition line:

 >gi|1170095|sp|P46419|GSTM1_DERPT Glutathione S-transferase (GST class-mu)

The offset is 4 and the termination character is '|'.  For databases
distributed in FASTA format from the European Bioinformatics
Institute, the offset depends on the name of the database, e.g.
	   
 >SW:104K_THEAN Q4U9M9 104 kDa microneme/rhoptry antigen precursor (p104).

and the delimiter is ' ' (space, the default).

Accession formats 1 and 3 expect strings; accession formats 2 and 4
work with integers (e.g. gi numbers).

>>Dec. 12, 2007  fa35_02_08

Correct bug in ssearch35 gapped scores that only occurred in
non-accelerated code.  This bug has been present since fa35_02_06.
Modified the Makefiles so that accelerated (ssearch35(_t)) and
non-accelerated (ssearch35s(_t)) are available. Edited Makefile's to
provide accelerated ssearch35 more specifically.

Modifications to provide information about annotated residues in the
-m9c coded output. Previously, -m 9c output added a field:

    =26+9=15-2=9-1=3+1=74-2=3-3=63

after the standard -m 9 output information.  With the new version, an
annotated query sequence ( -V '*#' ) adds the field:

    |14:16:#<TM|24:26:#>TA|44:37:*>ST|71:66:#=TT

which indicates that residue 14 in the query sequence aligns with
residue 16 in the target (library) with annotation symbol '#', the
alignment score is '<' less than zero, and the residues are 'T'
(query) and 'M' (library). (The '|' is used to separate each
annotation entry.)

>>Nov. 10, 2007

Parts of p2_complib.c and p2_workcomp.c, and the pvm/mpi Makefiles,
have been updated to be consistent with name changes in the param.h
and structs.h directories.

>>Nov. 20, 2007   fa35_02_08

Parts of p2_complib.c and p2_workcomp.c, and the pvm/mpi Makefiles,
have been updated to be consistent with name changes in the param.h
and structs.h directories.

>>Nov. 6, 2007	  fa35_02_07

Correct problems with asymmetric RNA matrices in initfa.c and rna.mat.

>>Oct. 18, 2007

Correct problem parsing ASN1 FastaDefLines when the database is local.

Recovering from a misplaced cvs commit of code that was supposed to be
on a branch, code has been recovered from earlier versions (fa35_02_05
because fa35_02_06 has some branch contamination).

>>Oct. 4, 2007	  fa35_02_06

Correct error in gap penalties in dropnnw.c.  Due to an unfortunate
inconsistency, the gap parameter in FLOCAL_ALIGN (in dropgsw2.c) had a
different meaning than that in almost all the other programs (it was
the sum of gap_open and gap_ext).  The FLOCAL_ALIGN function call was
copied for FGLOBAL_ALIGN, even though the the FGLOBAL_ALIGN function
used the more conventional gap_open, gap_ext parameters.  Thus,
FGLOBAL_ALIGN was wrong and the subsequent do_walign() in dropnnw.c
were wrong.  dropgsw2.c:FLOCAL_ALIGN has been modified to use the
conventional gap_open parameter, and calls to dropnnw.c:
FGLOBAL_ALIGN() and do_walign() have been fixed.

>>Sept. 20, 2007

Modify the logic used when saving a seq_record *seq_p into beststr
*bbp to ensure that if the seq_record is replaced, it is replaced at
all the places where it is referenced.  This involves adding a linked
list into beststr (*bbp->bbp_link).  When making the link (and freeing
it up), be certain that the linked seq_p is the same as the one being
replaced.

>>Sept. 18, 2007   fa35_02_05

A relatively obscure problem was found on the SGI platform when
searching a library smaller than 500 sequences (thus requiring some
shuffles). Two bugs were found and corrected; one involved not
allocating aa1shuff with COMP_THR and not do a m_file_p->ranliba()
before re_getlib().  The second involved destroying a pointer to the
list of seq_records when a sequence was being shuffled.  The bugs were
confirmed with Insure, and have been fixed.

>>Sept. 7, 2007	fa35_02_04

Revamp the offset handling code to provide better uniformity between
query and library offsets and coordinate systems.

Fix a problem with load_mmap() to load 64-bit sequence locations
properly on machines with 32-bit integers.

>>Sept. 4, 2007

Modify ncbl2_mlib.c slightly to check to see whether the amino-acid
mapping in blast databases is identical to the FASTA mapping (it
should be).  If they are identical, do not re-map the blast amino acid
sequences (potentially a small speed up).

>>Aug. 22, 2007

Change ps_lav.c to lav2ps.c, and add lav2svg.c.  It is now possible to
generate a lalign35 HTML output that has both SVG (lav2svg) and PNG
(lav2ps | gs ), graphics.

>>Aug. 10, 2007	CVS fa35_02_03

Fix faatran.c:aacmap() bug.

>>Aug. 6, 2007

Extensive restructuring of pssm_asn_subs.c to parse PSSM:2 ASN.1's
downloaded from NCBI WWW PSI-BLAST more robustly.

>>July 25, 2007	  CVS fa35_02_02

Change default gap penalties for OPTIMA5 matrix to -20/-2 from -24/-4.

>>July 24, 2007

Correct bugs introduced by adding 'J' - 'J' was initially put before
'X' and '*' in the alphabet, which led to problems because the
one-dimensional lower-triangular pam[] matrices (abl50[], abl62[],
etc) had entries for 'X', and '*', but not for 'J'.  By placing 'J'
after the other characters, the problem is resolved.

Modify tatstats.c to accommodate 'J'.

'*' is back in the aascii[] matrix, so that it is present by default
(like fasta34).

>>July 23, 2007

Changes to support sub-sequence ranges for "library" sequences -
necessary for fully functional prss (ssearch35) and lalign35.  For all
programs, it is now possible to specify a subset of both the query and
the library, e.g.

    lalign35 -q mchu.aa:1-74 mchu.aa:75-148

Note, however, that the subset range applied to the library will be
applied to every sequence in the library - not just the first - and
that the same subset range is applied to each sequence.  This probably
makes sense only if the library contains a single sequence (this is
also true for the query file).

Correct bugs in the functions that produce lav output from lalign35 -m
11 to properly report the begin and end coordinates of both sequences.
Previously, coordinates always began with "1".  Correct associated bug
in ps_lav.c that assumed coordinates started with "1".

>>June 29, 2007	CVS fa35_02_01

Merge of HEAD with fasta35 branch.

>>June 29, 2007	CVS fa35_01_06

Add exit(0); to ps_lav.c for 0 return code.

>>June 26, 2007

Add amino-acid 'J' for 'I' or 'L'.

Add Mueller and Vingron (2000) J. Comp. Biol. 7:761-776 VT160 matrix,
"-s VT160", and OPTIMA_5 (Kann et al. (2000) Proteins 41:498-503).

Changes to dropnnw.c documentation functions to remove #ifdef's from
strncpy() - which apparently is a macro in some versions of gcc.

>>June 7, 2007

Modify initfa.c to allow ggssearch35(_t), glsearch35(_t) to use PSSMs.

>>June 5, 2007  CVS fa35_01_05

Modifications to p2_complib.c, p2_workcomp.c to support Intel C
compiler.  Fixed bug in p2_workcomp.c - gstring[2][MAX_STR] required -
[MAX_SSTR] too short.  mp35comp* programs now tested and working (as
are pv35comp*, c35.work* programs).

Fix problem with fasts/fastm/fastf last_tat.c with limited memory.

Correct problem with lalign35.exe Makefile.nm_[fp]com.

Add $(CFLAGS) to map_db to enable large file support.

Address problem with PSSM's when '*' not defined (initfa.c:extend_pssm()).

>>May 30, 2007	CVS fa35_01_04

Complete work on ps_lav, which converts an lalign35 lav (-m 11) file
into a postscript plot, which looks identical to the plots produced by
plalign from fasta2.

>>May 25,29, 2007

Changes to defs.h, doinit.c mshowalign.c for -m 11, which produces lav
output only for lalign35.

Changes to comp_lib2.c to add m_msg.std_output, which provides all the
standard print lines.  This is turned off for -m 11 (lav) output.
lalign35 -m 11 provides standard lav output, with the addition of
#lalign35 -q ... .

>>May 18, 2007

Add m_msg.zsflag to preserve pst.zsflag when reset by global/global
exclusion of many library sequences.

>>May  9, 2007	CVS fa35_01_03

Tested local database size determination with p2_complib2/p2_workcomp2.

>>May 2, 2007	renamed fasta35, pv35comp, etc

Separate thread buffer structures from param.h.

Problems with incorrect alignments has been fixed by re-initializing the
best_seqs and lib_buf2_list.buf2 structures after each query sequence.

The labels on the alignment scores are much more informative (and more
diverse).   In the past, alignment scores looked like:

>>gi|121716|sp|P10649|GSTM1_MOUSE Glutathione S-transfer  (218 aa)
 s-w opt: 1497  Z-score: 1857.5  bits: 350.8 E(): 8.3e-97
Smith-Waterman score: 1497; 100.0% identity (100.0% similar) in 218 aa overlap (1-218:1-218)
^^^^^^^^^^^^^^

where the highlighted text was either: "Smith-Waterman" or "banded
Smith-Waterman". In fact, scores were calculated in other ways,
including global/local for fasts and fastf.  With the addition of
ggsearch35, glsearch35, and lalign35, there are many more ways to
calculate alignments: "Smith-Waterman" (ssearch and protein fasta),
"banded Smith-Waterman" (DNA fasta), "Waterman-Eggert",
"trans. Smith-Waterman", "global/local", "trans. global/local",
"global/global (N-W)".  The last option is a global global alignment,
but with the affine gap penalties used in the Smith-Waterman
algorithm.

>>April 24, 2007

The new program structure has been migrated to the PVM and MPI
versions.  In addition, the new global algorithms (pv35compgg,
pv35compgl) have been moved, though the the PVM/MPI versions do not
(yet) to the appropriate size filtering.

>>April 19, 2007

Two new programs, ggsearch35(_t) and glsearch35_t are now available.
ggsearch35(_t) calculates an alignment score that is global in the
query and global in the library; glsearch35_t calculates an alignment
that is global in the query and local, while local in the library
sequence.  The latter program is designed for global alignments to domains.

Both programs assume that scores are normally distributed.  This
appears to be an excellent approximation for ggsearch35 scores, but
the distribution is somewhat skewed for global/local (glsearch)
scores.  ggsearch35(_t) only compares the query to library sequences
that are beween 80% and 125% of the length of the query; glsearch
limits comparisons to library sequences that are longer than 80% of
the query.  Initial results suggest that there is relatively little
length dependence of scores over this range (scores go down
dramatically outside these ranges).

A bug was found and fixed in showalign() and showbest() where the
aa1save buffer was not preserved when some sequences needed to be
re-read, while others were stored in the beststr.

>>April 9, 2007

Some of the drop*.c functions have been reconfigured to reduce the
amount of duplicate code.  For example, dropgsw.c, dropnsw.c, and
dropnfa.c all used exactly the same code to produce global alignments
(NW_ALIGN() and nw_align()), this code is now in wm_align.c.
Likewise, those same files, as well as dropgw2.c, use identical code
to produce consensus alignments (calcons(), calcons_a(), calc_id(),
calc_code()).  Rather than working with three or four copies of
identical code, there is now one version.

>>March 29, 2007

At last, the lalign (SIM) algorithm has been moved from FASTA21 to
FASTA35.  Currently, only lalign35 is available.  A plotting version
will be available shortly (or perhaps a more general solution that
produces lav output).

The statistical estimates for lalign35 should be much more accurate
than those from the earlier lalign, because lambda and K are estimated
from shuffles.

Many functions have been modified to reduce the number of times
structures are passed as arguments, rather than pointers.

>>February 23, 2007

The threading strategy has been modified slightly to separate the end
of the search phase (and a complete reading of all results buffers)
from the termination phase.  This will allow future threading of
subsequent phases, including the Smith-Waterman alignments in
showbest() and showalign() (though care will be required to ensure
that the results are presented in the correct order).

>>February 20, 2007	fasta-34_27_0  (released as fasta-35_1)

The FASTA programs have been restructured to reduce the differences
between the threaded and unthreaded versions (and ultimately the
parallel versions) and to make more efficient use of modern large
memory systems.  This is the beginning of a move towards a more robust
shuffling strategy when searching databases with modest numbers of
related sequences.

The major changes:

  comp_lib.c -> comp_lib2.c  - comp_lib.c will be removed
  work_thr.c -> work_thr2.c  - work_thr.c will be removed

  mshowbest.c, mshowalign.c have been modified to remove aa1 as an
    argument. They must allocate that space if they need it.

  The system is set up to allocate a substantial amount of library
  sequence memory, either to a single buffer (unthreaded) or to the
  threaded buffer pool.  For smaller databases, the library sequences
  are read once, and then subsequently read from memory (this could be
  extended for RANLIB(bline) as well).

Soon, these changes will allow the program to re-read the beststr[]
sequences and shuffle them to produce accurate lambda/K estimates.

================================================================

See readme.v34t0 for earlier changes.

================================================================
