<xsd:complexType name="softwareType">
<xsd:annotation>
<xsd:documentation xml:lang="en">Data items in the SOFTWARE category record details about the software used in the structure analysis, which implies any software used in the generation of any data items associated with the structure determination and structure representation. These data items allow computer programs to be referenced in more detail than data items in the COMPUTING category do. Example 1 - based on PDB entry 5HVP and laboratory records for the structure corresponding to PDB entry 5HVP. <PDBx:softwareCategory> <PDBx:software pdbx_ordinal="1"> <PDBx:citation_id>ref5</PDBx:citation_id> <PDBx:classification>refinement</PDBx:classification> <PDBx:compiler_name>Convex Fortran</PDBx:compiler_name> <PDBx:compiler_version>v8.0</PDBx:compiler_version> <PDBx:contact_author>Wayne A. Hendrickson</PDBx:contact_author> <PDBx:date xsi:nil="true" /> <PDBx:dependencies>Requires that Protin be run first</PDBx:dependencies> <PDBx:description>restrained least-squares refinement</PDBx:description> <PDBx:hardware>Convex C220</PDBx:hardware> <PDBx:language>Fortran</PDBx:language> <PDBx:location>ftp://rosebud.sdsc.edu/pub/sdsc/xtal/CCP4/ccp4/</PDBx:location> <PDBx:mods>optimized</PDBx:mods> <PDBx:name>Prolsq</PDBx:name> <PDBx:os>ConvexOS</PDBx:os> <PDBx:os_version>v10.1</PDBx:os_version> <PDBx:type>program</PDBx:type> <PDBx:version>unknown</PDBx:version> </PDBx:software> </PDBx:softwareCategory></xsd:documentation>
</xsd:annotation>
<xsd:sequence>
<xsd:element name="software" minOccurs="0" maxOccurs="unbounded">
<xsd:complexType>
<xsd:all>
<xsd:element name="citation_id" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">This data item is a pointer to attribute id in category citation in the CITATION category.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="classification" minOccurs="1" maxOccurs="1" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The classification of the program according to its major function. data collection data reduction phasing model building refinement validation other</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="compiler_name" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The compiler used to compile the software. Convex Fortran gcc DEC C</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="compiler_version" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The version of the compiler used to compile the software. 3.1 2.1 alpha</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="contact_author" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The recognized contact author of the software. This could be the original author, someone who has modified the code or someone who maintains the code. It should be the person most commonly associated with the code. T. Alwyn Jones Axel Brunger</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="contact_author_email" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The e-mail address of the person specified in attribute contact_author in category software. bourne@sdsc.edu</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="date" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The date the software was released. 1991-10-01 1990-04-30</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="dependencies" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">Any prerequisite software required to run attribute name in category software. PDBlib class library</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="description" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">Description of the software. Uses method of restrained least squares</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="hardware" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The hardware upon which the software was run. Sun Sparc 10 model 41 Dec Alpha 3000 model 500S Silicon Graphics Elan Compaq PC 486/66</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="language" minOccurs="0" maxOccurs="1" nillable="true">
<xsd:annotation>
<xsd:documentation xml:lang="en">The major computing language in which the software is coded.</xsd:documentation>
</xsd:annotation>
<xsd:simpleType>
<xsd:restriction base="xsd:string">
<xsd:enumeration value="Ada"/>
<xsd:enumeration value="assembler"/>
<xsd:enumeration value="Awk"/>
<xsd:enumeration value="Basic"/>
<xsd:enumeration value="C++"/>
<xsd:enumeration value="C/C++"/>
<xsd:enumeration value="C"/>
<xsd:enumeration value="csh"/>
<xsd:enumeration value="Fortran"/>
<xsd:enumeration value="Fortran_77"/>
<xsd:enumeration value="Fortran 77"/>
<xsd:enumeration value="Fortran 90"/>
<xsd:enumeration value="Java"/>
<xsd:enumeration value="Java & Fortran"/>
<xsd:enumeration value="ksh"/>
<xsd:enumeration value="Pascal"/>
<xsd:enumeration value="Perl"/>
<xsd:enumeration value="Python"/>
<xsd:enumeration value="sh"/>
<xsd:enumeration value="Tcl"/>
<xsd:enumeration value="Other"/>
</xsd:restriction>
</xsd:simpleType>
</xsd:element>
<xsd:element name="location" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The URL for an Internet address at which details of the software can be found. http://rosebud.sdsc.edu/projects/pb/IUCr/software.html ftp://ftp.sdsc.edu/pub/sdsc/biology/</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="mods" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">Any noteworthy modifications to the base software, if applicable. Added support for space group F432</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="name" minOccurs="1" maxOccurs="1" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The name of the software. Merlot O Xengen X-plor</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="os" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The name of the operating system under which the software runs. Ultrix OpenVMS DOS Windows 95 Windows NT Irix HPUX DEC Unix</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="os_version" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The version of the operating system under which the software runs. 3.1 4.2.1</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="type" minOccurs="0" maxOccurs="1" nillable="true">
<xsd:annotation>
<xsd:documentation xml:lang="en">The classification of the software according to the most common types.</xsd:documentation>
</xsd:annotation>
<xsd:simpleType>
<xsd:restriction base="xsd:string">
<xsd:enumeration value="program"/>
<xsd:enumeration value="library"/>
<xsd:enumeration value="package"/>
<xsd:enumeration value="filter"/>
<xsd:enumeration value="jiffy"/>
<xsd:enumeration value="other"/>
</xsd:restriction>
</xsd:simpleType>
</xsd:element>
<xsd:element name="version" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The version of the software. v1.0 beta 3.1-2 unknown</xsd:documentation>
</xsd:annotation>
</xsd:element>
</xsd:all>
<xsd:attribute name="pdbx_ordinal" use="required" type="xsd:integer">
<xsd:annotation>
<xsd:documentation xml:lang="en">An ordinal index for this category 1 2</xsd:documentation>
</xsd:annotation>
</xsd:attribute>
</xsd:complexType>
</xsd:element>
</xsd:sequence>
</xsd:complexType> |