X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=help%2Fhtml%2Fio%2Fmodellerpir.html;h=d6157fb316293a57b8b494de97340a8b35c28f66;hb=37de9310bec3501cbc6381e0c3dcb282fcaad812;hp=31813e5c96fe5f929f156d7d51c9734560efcd6b;hpb=59d682209891099d46b960509907c79e3fb276fe;p=jalview.git diff --git a/help/html/io/modellerpir.html b/help/html/io/modellerpir.html index 31813e5..d6157fb 100755 --- a/help/html/io/modellerpir.html +++ b/help/html/io/modellerpir.html @@ -1,32 +1,39 @@ + * You should have received a copy of the GNU General Public License + * along with Jalview. If not, see . + * The Jalview Authors are detailed in the 'AUTHORS' file. + --> Modeller PIR Format IO -

Modeller PIR Format IO

-

The homology modelling program, Modeller uses a special form -of the PIR format where information about sequence numbering and chain -codes are written into the 'description' line between the PIR protein -tag and the protein alignment entry:

-
>P1;Q93Z60_ARATH
+  

+ Modeller PIR Format IO +

+

+ The homology modelling program, Modeller uses a + special form of the PIR format where information about sequence + numbering and chain codes are written into the 'description' line + between the PIR protein tag and the protein alignment entry: +

+
>P1;Q93Z60_ARATH
 sequence:Q93Z60_ARATH:1:.:118:.:.
 ----MASTALSSAIVSTSFLRRQQTPISLRSLPFANT-QSLFGLKS-STARGGRVTAMATYKVKFITPEGEQ
 EVECEEDVYVLDAAEEAGLDLPYSCRAGSCSSCAGKVVSGSIDQSD------QSFLD-D-------------
@@ -37,26 +44,30 @@ structureX:1FER:1:.:105:.:.
 EV-CPVDCFY----EGPNFLVIHPDECIDCALCEPECPAQAIFSEDEVPEDMQEFIQLNAELAEVWPNITEK
 KDPLPDAEDWDGVKGKLQHLE*
 
-

Jalview will attempt to parse any PIR entries conforming to the -Modeller/PIR format, in order to extract the sequence start and end -numbering and (possibly) a PDB file reference. The description line -information is always stored in the sequence description string - so -no information is lost if this parsing process fails.

-

The 'Modeller Output' flag in the 'Output' tab of the Jalview Preferences dialog -box controls whether Jalview will also output MODELLER style PIR -files. In this case, any existing 'non-modeller PIR' header -information in the description string of an alignment is appended to -an automatically generated modeller description line for that -sequence.

-

The general format used for generating the Modeller/PIR sequence -description line is shown below : -

>P1;Primary_Sequence_ID
+  

Jalview will attempt to parse any PIR entries conforming to the + Modeller/PIR format, in order to extract the sequence start and end + numbering and (possibly) a PDB file reference. The description line + information is always stored in the sequence description string - so + no information is lost if this parsing process fails.

+

+ The 'Modeller Output' flag in the 'Output' tab of the Jalview Preferences dialog + box controls whether Jalview will also output MODELLER style PIR + files. In this case, any existing 'non-modeller PIR' header + information in the description string of an alignment is appended to + an automatically generated modeller description line for that + sequence. +

+

The general format used for generating the Modeller/PIR + sequence description line is shown below : +

>P1;Primary_Sequence_ID
 sequence or structureX:pdb-reference if
   available:start residue:start chain code:end
-  residue:end chain code:. description text
-The first field is either sequence or structureX, depending upon the -presence of a PDB database ID for the sequence. If the protein has no -PDB reference, then the chain code is not specified, unless one -already existed when the sequence was imported into Jalview. + residue:end chain code:. description text +
+ The first field is either sequence or structureX, depending upon the + presence of a PDB database ID for the sequence. If the protein has no + PDB reference, then the chain code is not specified, unless one + already existed when the sequence was imported into Jalview.