[BioRuby-cvs] bioruby/doc Changes-0.7.rd,1.12,1.13
Naohisa Goto
ngoto at pub.open-bio.org
Sun Jan 15 04:41:44 EST 2006
Update of /home/repository/bioruby/bioruby/doc
In directory pub.open-bio.org:/tmp/cvs-serv8780/doc
Modified Files:
Changes-0.7.rd
Log Message:
Added/modified changes for PDB classes
Index: Changes-0.7.rd
===================================================================
RCS file: /home/repository/bioruby/bioruby/doc/Changes-0.7.rd,v
retrieving revision 1.12
retrieving revision 1.13
diff -C2 -d -r1.12 -r1.13
*** Changes-0.7.rd 18 Dec 2005 19:13:09 -0000 1.12
--- Changes-0.7.rd 15 Jan 2006 09:41:42 -0000 1.13
***************
*** 189,202 ****
--- Bio::PDB
* Bio::PDB::Atom is removed. Instead, please use Bio::PDB::Record::ATOM and
Bio::PDB::Record::HETATM.
* Bio::PDB::FieldDef is removed and Bio::PDB::Record is completely
! changed. Now, Record is changed from hash to Struct, and
! method_missing is no longer used.
* In the "MODEL" record, model_serial is changed to serial.
* In records, record_type is changed to record_name.
! * In any records, record_type is changed to record_name.
! * In most records contains real numbers, changed to return
! float values instead of strings.
* Pdb_AChar, Pdb_Atom, Pdb_Character, Pdb_Continuation,
Pdb_Date, Pdb_IDcode, Pdb_Integer, Pdb_LString, Pdb_List,
--- 189,207 ----
--- Bio::PDB
+ In 0.7.0:
+
* Bio::PDB::Atom is removed. Instead, please use Bio::PDB::Record::ATOM and
Bio::PDB::Record::HETATM.
* Bio::PDB::FieldDef is removed and Bio::PDB::Record is completely
! changed. Now, records is changed from hash to Struct objects.
! (Note that method_missing is no longer used.)
! * In records, "do_parse" is now automatically called.
! Users don't need to call do_parse explicitly.
! (0.7.0 feature: "inspect" does not call do_parse.)
! (0.7.1 feature: "inspect" calls do_parse.)
* In the "MODEL" record, model_serial is changed to serial.
* In records, record_type is changed to record_name.
! * In most records contains real numbers, return values are changed
! to float instead of string.
* Pdb_AChar, Pdb_Atom, Pdb_Character, Pdb_Continuation,
Pdb_Date, Pdb_IDcode, Pdb_Integer, Pdb_LString, Pdb_List,
***************
*** 204,207 ****
--- 209,228 ----
Pdb_String, Pdb_StringRJ and Pdb_SymOP are moved under
Bio::PDB::DataType.
+ * There are more and more changes to be written...
+
+ In 0.7.1:
+
+ * Heterogens and HETATMs are completely separeted from residues and ATOMs.
+ HETATMs (Bio::PDB::Record::HETATM objects) are stored in
+ Bio::PDB::Heterogen (which inherits Bio::PDB::Residue).
+ * Waters (resName=="HOH") are treated as normal heterogens.
+ Model#solvents is still available but it will be deprecated.
+ * In Bio::PDB::Chain, adding "LIGAND" to the heterogen id is no longer
+ available. Instead, please use Chain#get_heterogen_by_id method.
+ In addition, Bio::{PDB|PDB::Model::PDB::Chain}#heterogens, #each_heterogen,
+ #find_heterogen, Bio::{PDB|PDB::Model::PDB::Chain::PDB::Heterogen}#hetatms,
+ #each_hetatm, #find_hetatm methods are added.
+ * Bio::PDB#seqres returns Bio::Sequence::NA object if the chain seems to be
+ a nucleic acid sequence.
* There are more and more changes to be written...
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