New feature has been added into Delphi v.5.1

News about DelPhi will post here

Moderator: lli5

Post Reply
lli5
Posts: 38
Joined: Thu Sep 22, 2011 8:44 am

New feature has been added into Delphi v.5.1

Post by lli5 » Mon Dec 05, 2011 5:04 pm

Dear DelPhi Users,
A New feature has been added into Delphi v.5.1. The newest version can be downloaded from Delphi’s website:
http://compbio.clemson.edu/delphi.php

Delphi v.5.1 can read and write charge and radius values in 4 digits after decimal, by using a new option “modpdb4”.
Examples:

out(modpdb4, file="test.mod",format=mod)
Writes a modified pdb file called "test.mod", which contains charge and radius value in 4 digits after decimal

out(modpdb4, file="test.pqr",format=pqr)
Writes a pqr file called "test.pqr", which contains charge and radius value in 4 digits after decimal

in(modpdb4, file="test.mod",format=mod)
Read a mod file called "test.mod", which contains charge and radius value in 4 digits after decimal

in(modpdb4, file="test.pqr",format=pqr)
Read a pqr file called "test.pqr", which contains charge and radius value in 4 digits after decimal. Using this option, delphi can directly read PQR files which are generated by other programs (such like pdb2pqr program).

The old formats are also available by using the old options.

For DelPhi Development Team,
Lin Li

Post Reply

Who is online

Users browsing this forum: No registered users and 1 guest