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[r8438] by bugman

Created a new structural API method, pack_structs().

This has the fun job of mapping the original models and molecules of the PDB (or which ever other
file format is read in the future) into the models and molecules stored within relax. I.e.
molecules can be converted to models and vice versa.

2009-01-14 13:07:39 Tree
[r8437] by semor

Merged revisions 8356,8436 via svnmerge from
svn+ssh://semor@.../svn/relax/1.3

........
r8356 | semor | 2009-01-09 20:28:29 -0500 (Fri, 09 Jan 2009) | 3 lines

Corrected a typo found while coding in the 'relax_disp' branch.
........
r8436 | semor | 2009-01-13 14:23:13 -0500 (Tue, 13 Jan 2009) | 7 lines

Corrected a typo.

This was discussed in a thread starting at:
https://mail.gna.org/public/relax-devel/2009-01/msg00087.html
(Message-id: <496CD419.9020908@...>)
........

2009-01-13 19:25:39 Tree
[r8436] by semor

Corrected a typo.

This was discussed in a thread starting at:
https://mail.gna.org/public/relax-devel/2009-01/msg00087.html
(Message-id: <496CD419.9020908@...>)

2009-01-13 19:23:13 Tree
[r8435] by semor

Added a missing quote which prevented the user manual to be sconstructed.

This was spotted in r8433 and discussed in a thread starting at:
https://mail.gna.org/public/relax-devel/2009-01/msg00082.html
(Message-id: <7f080ed10901130831m7f1d3a7dg4f683f390fe9203c@...>)

2009-01-13 17:18:45 Tree
[r8434] by bugman

Redesigned the Scientific python structural object load_pdb() method.

The structural data structure is not yet created.

2009-01-13 17:03:18 Tree
[r8433] by semor

Imported relaxation dispersion in grace user functions.

However, there is now a problem when constructing the manual (scons user_manual_pdf), in the latex
part of the code, where the following error message is thrown:

==========
Underfull \vbox (badness 10000) has occurred while \output is active [172]
Overfull \hbox (12.85161pt too wide) in paragraph at lines 1277--1306
[]

Underfull \vbox (badness 5578) has occurred while \output is active [173]
[174] [175] [176] [177] [178] [179] [180]
Underfull \hbox (badness 10000) in paragraph at lines 1597--1598
[]\OT1/cmtt/m/n/9 relax> grace.write(x[]data[]type=`Rex', y[]data[]type=`te', s
pin[]id=`:123', plot[]data=`sims',

Underfull \hbox (badness 10000) in paragraph at lines 1602--1603
[]\OT1/cmtt/m/n/9 relax> grace.write(x[]data[]type=`relax[]times', y[]data[]typ
e=`ave[]int',
[181]
! Argument of \check@...@ has an extra }.
<inserted text>
\par
l.1688 ...ncy (series) & \quotecmd{cpmg\_frqs} & }
\^{}[Cc]pmg[ -\_][Ff]rqs\$...

?
==========

Any ideas ?

2009-01-13 16:09:35 Tree
[r8432] by bugman

Fixes for the __compare_objects() method.

2009-01-13 15:12:39 Tree
[r8431] by bugman

Fixes for the duplicate_data() method.

2009-01-13 15:12:27 Tree
[r8430] by semor

Completed the scaling matrix code.

This follows a thread at:
https://mail.gna.org/public/relax-devel/2009-01/msg00073.html
(Message-id: <496C09F1.1000307@...>)

2009-01-13 13:51:31 Tree
[r8429] by semor

Started to implement the scaling matrix for scaling the 'R2eff' values.

This might change in the future as other possible curve fitting parameters ('R2', 'Rex', 'kex',
'R2A', 'kA', 'dw') might need some scaling.

2009-01-13 03:24:37 Tree
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