Changes between Version 76 and Version 77 of Release1.4


Ignore:
Timestamp:
Dec 24, 2008, 10:47:27 AM (17 years ago)
Author:
Scooter Morris
Comment:

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  • Release1.4

    v76 v77  
    120120   4. allow simultaneous fit of multiple molecules
    121121
    122 ==== Sequence/Structure (Core 4) ====
    123 
    124  * connect to our own Web service to BLAST on PDB, provide dialog for choosing which hit structures to open, whether to show pairwise sequence alignment from BLAST (in MAV), whether to superimpose hit and query structures (with Matchmaker). Input is sequence of molecule model already open in Chimera. ECM
    125     * (search other databases such as NR? PSI-BLAST on NR?)
    126 
    127  * connect to our own Web service to multiple sequence alignment program (Muscle, T-Coffee, ... see [http://www.cgl.ucsf.edu/home/meng/sources.html#d list and links]), show result in MAV. Input would be sequence alignment already open in Chimera, probably would have to reformat into unaligned multi-FASTA for server. ECM
    128 
    129  * allow sending template structure and template/target sequence alignment to comparative modeling program, either local or Web. ECM
    130 
    131  * given a sequence alignment and associated structure, allow showing indels on structure relative to one of the sequences in the alignment (user specifies which structure and which sequence). ECM
    132     * on my secondary MAV to-do list. EFP
    133 
    134  * allow editing sequence name. ECM
    135     * on my secondary MAV to-do list. EFP
    136 
    137  * allow specifying "sequence to add" by accession code (Uniprot?). Its feature annotations would automatically come along as regions.  ECM
    138     * would we want Fetch by ID for sequences? (would we want a sequence with no structure and not aligned with any other sequences?)
    139     * perhaps allow specifying Uniprot accession or BLAST on Uniprot for existing sequences, retrieve and load feature annotations as sequence regions (would require global alignment to Uniprot sequence for correct mapping of features when the existing sequence is not identical)
    140     * on my secondary MAV to-do list. EFP
    141 
    142   * Matchmaker option to create post-fit alignment with Match->Align and refit on that to give more meaningful # of pairs and RMSD statistics along with the better alignment.  Perhaps even multiple such rounds, reporting stats and showing alignment only at the end. ECM
    143  
    144   * MAV report all-by-all percent identities to Reply Log in form of a (text) matrix instead of a line for each pair.  ECM
    145     * on my tertiary MAV to-do list. EFP
    146 
    147 Most of the above aren't realistic for the 1.4 release given my work on other Chimera projects and on cluster backups.  However, many of these features aren't even on my radar at this point, so it would be good to have a discussion about them in order to begin to prioritize them so that perhaps some can make the 1.5 release. EFP
    148 
    149 The things that I *do* have on my primary MAV to-do list are:
    150 
    151  * When aligning in a structure sequence, consider secondary structure markups of non-structure sequences
    152  * If gaps are created while adding a sequence, make corresponding gaps in any markups
    153  * Vertical scrolling of alignment with scroll wheel
    154  * Show region names as tool tips
    155  * Allow add-sequence alignment parameters to be reset to defaults
    156  * Be smarter about what to use as the default gap character when adding a sequence
    157  * Aqua background -> gray, or put black border around sequence-name color swatches
    158  * "Sticky" headers (and remove Conservation/Consensus from Layout prefs)
    159  * "Diffing" of sequence/node against consensus/node/remainder of alignment
    160  * Symbols (cylinders, stars, etc.) in headers, and then manual header creation
    161  * Extract region into new alignment
    162  * Tree improvements: session save/restore; handle sequence addition/deletion; hide/show nodes; delete node; conservation/consensus of nodes; highlight node sequences; show numeric branch weights; restrict operations to nodes; trees where alignment isn't 1-to-1
    163 
    164 The first two items are the ones with the best chance of making the 1.4 release.
    165 
    166 ==== Other Projects ====